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DOE OSTI2022

Development of simplified model for injection rate prediction of diesel injectors during transient and steady operation

Determining the injection rate of the diesel injector during the transient short injection operations is a critical matter to enhance the combustion process by improving air/fuel mixture formation. In this regard, numerous injection models have been suggested in the literature to predict the injection rate accurately. However, such algorithms have not precisely predicted the rate of injection (ROI) in transient short injection events. In addition, most of those models require many input parameters to characterize hydraulic and mechanical subsystems in the injector, which can make them inconvenient to tune for different injector specifications, in other words not suitable for universal usage. Therefore, our study aims to develop a simple injection model that can predict injection rate precisely in the short and long injection durations considering relatively fewer input parameters. The model traces the pressure variation inside the sac based on the bulk modulus theory to predict nozzle exit velocity, thus the injection rate of the injector. In the algorithm, the bulk modulus of fuel (E) and discharge coefficients of the nozzle hole and needle seat (C d,H and C d,N ) have been considered to vary rather than set constant during the injection process since such flow parameters would have a critical impact on the flow development at the transient stage, thus affecting the injection rate of diesel injectors. Here with this modelling strategy, the accuracy of the new model on ROI prediction was confirmed with acceptable model error for both short and long injection durations by validating against experimental results. To understand the effect of the new model scheme on ROI prediction, ROI results with the new model have been discussed by comparing it with the ROI results predicted with constant flow parameters.

42 ENGINEERING↗
DOE OSTI2020

Methodology for the development of empirical models relating 13C NMR spectral features to fuel properties

Effective formulation of new gasoline or diesel fuels for internal combustion engines would benefit from the development of reliable models for predicting key fuel properties based on a set of molecular descriptors obtained from a single measurement. This is particularly relevant in the case of renewable fuels, where the available fuel sample quantity may be limited. In this work, we present a statistically-based methodology for building empirical models to predict multiple properties from one-dimensional 13C nuclear magnetic resonance (NMR) spectra measured on around 200 microliters of a liquid fuel. NMR spectra contain information about the molecular composition of a sample and the carbon types and molecular substructures therein. Our approach uses this information to build sparse, interpretable models, where the predicted properties are linked to specific molecular features. The approach takes into consideration the constrained nature of the features making up the one-dimensional NMR spectrum, which, after standardization, represent a relative fuel composition. We point to the limitations in interpretability that arise when building this type of empirical predictive model and suggest how these limitations may be diminished. Among the many properties important for maximizing engine performance and minimizing emissions, we build models that predict derived cetane number and distillation temperatures as these are of particular interest because of their links to fuel economy, drivability, and engine-out emissions. Results suggest that the properties of interest may be impacted by only a few of the 27 13C NMR regions represented in the data, pointing to new directions for further testing in the development of improved fuels.

predictive models, biofuels., NMR Analysis↗
DOE OSTI2023

Development and evaluation of a skeletal mechanism for EHN additized gasoline mixtures in large Eddy simulations of HCCI combustion

Advanced Low Temperature Combustion modes, such as the Sandia proposed Additive-Mixing Fuel Injection (AMFI), can unlock significant potential to boost fuel conversion efficiency and ultimately improve the energy conversion of internal combustion engines. This is a novel improved combustion process that is enabled by supplying small (<5%) variable amounts of autoignition improver to the fuel to enhance the engine operation and control. Common, diesel-fuel ignition-quality enhancing additive, 2-ethylexyl nitrate (EHN), is doped into gasoline to enable Sandia LTGC + AMFI combustion. This manuscript focuses on the development of a reduced sub-mechanism for EHN chemical kinetics at engine relevant conditions that is implemented into a skeletal mechanism for chemical kinetic studies of gasoline surrogate fuels. The mechanism validation utilized zero-dimensional numerical simulations and comparison to shock tube ignition-delay data of pure and EHN-doped n-heptane. Additional validation is presented with Homogeneous Charge Compression-Ignition (HCCI) engine data of pure and EHN-doped research-grade E10 gasoline. Then, the mechanism was deployed in a 3-D computational fluid dynamics (CFD) using Large Eddy Simulations (LES) to model the HCCI engine experiments of 0.4% vol EHN additized E10 gasoline at several equivalence ratios. Simulations showed a very good performance of the mechanism, and the model accurately reproduced (a) the ignition point, (b) combustion phasing, (c) combustion duration, and (d) the peak of the heat release rates of the engine experiments. The results show that EHN promotes Low-Temperature Heat Release, ultimately driving the gasoline to autoignite at thermodynamic conditions where the fuel would not otherwise ignite. Overall, this work demonstrates a viable reduced chemical-kinetic mechanism for EHN and shows that it can be combined with a skeletal gasoline mechanism for CFD-LES analysis of well-mixed LTGC that matches well with experimental results. The CFD-LES analysis also shows the spatial distribution of EHN-fuel interactions that control the autoignition throughout the combustion chamber.

Guleria, Gaurav↗
DOE OSTI2025

Design and Demonstration of a NH3-Fueled Two-Stroke Uniflow Engine for Greenhouse Gas Reduction

The maritime shipping industry is growing increasingly interested in both low and non-carbon-containing fuels to meet future greenhouse gas emission targets. Specifically of interest is ammonia, as it has a relatively high volumetric energy density compared to other future fuels, such as hydrogen, making it more economical to transport. The robust engine architecture of low-speed two-stroke marine engines makes them an ideal candidate for ammonia fuel, overcoming many of the issues surrounding its poor ignitability and low flame speed. If emissions and fueling system challenges can be addressed, retrofits of current low-speed two-stroke dual-fuel engines represent a viable pathway for bringing ammonia engines to market. This study explores these technical hurdles by describing the design, analysis, and experimental validation of a single cylinder research engine converted to operate on ammonia fuel. The engine is a reduced-scale uniflow two-stroke marine engine with two previous hardware configurations available – diesel and high-pressure CNG dual-fuel. A concept study was used to evaluate possible ammonia-fueled engine architectures and the associated tradeoffs and design considerations. With the chosen architecture, low-pressure dual fuel, 1D and 3D analysis tools were used to inform hardware selection and to determine hardware configurations which minimized ammonia-slip. In addition to these considerations the hardware and engine configuration were designed to provide a versatile and robust testing platform. This includes options to test both gaseous and liquid ammonia injection, as well as a wide range of performance parameters such as AFR, swirl, valve timing, SOI, and many others. Design constraints imposed by the existing engine hardware necessitated an iterative loop between design and analysis toolsets, ultimately converging on a final design for the ammonia-conversion hardware. The engine was rebuilt with the new hardware and evaluated in an engine test cell. A new control strategy developed and flashed onto a prototyping electronic control unit allowed for full control over all engine parameters. An initial calibration was developed, providing test data for validation of the engine 1D and 3D models. The impact of the design choices on engine operability and the ability to meet program targets is discussed as well as opportunities for further optimization of the ammonia-conversion hardware, informed by the validated models.

Kaul, Brian [ORNL] (ORCID:0000000184813620)↗
DOE OSTI2020

CONTROLLED END GAS AUTO IGNITION WITH EXHAUST GAS RECIRCULATION ON A STOICHIOMETRIC, SPARK IGNITED, NATURAL GAS ENGINE

The goal of this study is to address fundamental limitations to achieving diesel-like efficiencies in heavy duty on-highway natural gas (NG) engines. Engine knock and misfire are barriers to pathways leading to higher efficiency engines. This study explores enabling technologies for development of high efficiency stoichiometric, spark ignited, natural gas engines. These include design strategies for fast and stable combustion and higher dilution tolerance. Additionally, advanced control methodologies are implemented to maintain stable operation between knock and misfire limits. To implement controlled end- gas autoignition (C-EGAI) strategies a Combustion Intensity Metric (CIM) is used for ignition control with the use of a Woodward large engine control module (LECM). Tests were conducted using a single cylinder, variable compression ratio, cooperative fuel research (CFR) engine with baseline conditions of 900 RPM, engine load of 800 kPa indicated mean effective pressure (IMEP), and stoichiometric air/fuel ratio. Exhaust gas recirculation (EGR) tests were performed using a custom EGR system that simulates a high pressure EGR loop and can provide a range of EGR rates from 0 to 40%. The experimental measurements included the variance of EGR rate, compression ratio, engine speed, IMEP, and CIM. These five variables were optimized through a Modified Box- Benken design Surface Response Method (RSM), with brake efficiency as the merit function. A positive linear correlation between CIM and f-EGAI was identified. Consequently, CIM was used as the feedback control parameter for C-EGAI. As such, implementation of C-EGAI effectively allowed for the utilization of high EGR rates and CRs, controlling combustion between a narrower gap between knock and lean limits. The change from fixed to parametric ignition timing with CIM targeted select values of f-EGAI with an average coefficient of variance (COV) of peak pressure of 5.4. The RSM efficiency optimization concluded with operational conditions of 1080 RPM, 1150 kPa IMEP, 10.55:1 compression ratio, and 17.8% EGR rate with a brake efficiency of 21.3%. At this optimized point of peak performance, a f-EGAI for C-EGAI was observed at 34.1% heat release due to auto ignition, a knock onset crank angle value of 10.3° aTDC and ignition timing of - 24.7° aTDC. This work has demonstrated that combustion at a fixed f-EGAI can be maintained through advanced ignition control of CIM without experiencing heavy knocking events.

Cooperative Fuel Research Engine, Auto Ignition, E↗
DOE OSTI2020

Development and Validation of Physics-Based Sub-Models of High-Pressure Supercritical Fuel Injection at Diesel Conditions Insert

The project sought to develop and validate accurate, physics-based, numerical submodels and implement them in computational fluid dynamics (CFD) software codes to enable accurate predictions of diesel sprays at pressures higher than the current systems. The combined experimental-computational effort has four main objectives: (1) acquire spatially and temporally resolved scalar measurements of fuel-oxidizer mixing in the near field of the fuel jet, (2) develop software modules to calculate thermo-physical properties of diesel surrogates and their mixtures with oxidizer of interest in real-gas operating regime, (3) integrate the real-fluid model into a commercial and an open-source CFD code to simulate fuel-air mixing in high-pressure diesel sprays, and (4) assess the robustness, accuracy, and uncertainty of the integrated CFD solvers in computing diesel sprays. Project accomplishments are consistent with the original goals of the project. Although we acquired spatially and temporally resolved scalar measurements, they were limited to refractive index difference and not to thermodynamic properties such as temperature and equivalence ratio. However, we successfully developed the theoretical background needed to acquire such measurements at diesel conditions and demonstrated the capability of the RSD for scalar measurements in a canonical turbulent jet flow replicating features of the diesel jet. Additional work will be needed to implement these procedures at high-pressure, high-temperature engine-like conditions of the CPFR. Mainly, we did not anticipate the need to find the liquid boundary and its statistical features or the state relationships between refractive index and thermodynamic properties, assuming the widely known Dale-Gladstone equation would suffice. Still, efforts devoted to these tasks were essential to fulfil the goals of the project and serves as the foundation on which many of the conclusions and key contributions of this project are based. Further assessment and application of the developed CFD codes is recommended to fully realize the benefits of this research.

33 ADVANCED PROPULSION SYSTEMS↗
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 OSTI2020

MULTI-DIMENSIONAL MODELING OF THE CFR ENGINE FOR THE INVESTIGATION OF SI NATURAL GAS COMBUSTION AND CONTROLLED END-GAS AUTOIGNITION

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by low emission limits and the wide range of chemical reactivity in pipeline quality natural gas. Depending on the region and the source of the natural gas, its reactivity, described by its methane number (analogous to the octane number for liquid SI fuels) can span from 65 - 95. In order to realize diesel-like efficiencies, SI natural gas engines must be designed to operate at high BMEP near knock limits over a wide range of fuel reactivity. This requires a deep understanding regarding the combustion-engine interactions pertaining to flame propagation and end-gas autoignition (EGAI). However, EGAI, if controlled, provides an opportunity to increase SI natural gas engine efficiency by increasing combustion rate and the total burned fuel, mitigating the effects of the slow flame speeds of natural gas fuels which generally reduce BMEP and increase unburned hydrocarbon emissions. For this reason, in order to study EGAI phenomenon, the present work highlights multi-dimensional computational fluid dynamics (CFD) models of the Cooperative Fuel Research (CFR) engine. The CFR engine models are used to investigate fuel-engine interactions that lead to EGAI with natural gas, including effects of fuel reactivity, engine operating parameters, and exhaust gas recirculation (EGR). A Three-Pressure Analysis, performed with GT-Power, was used to estimate initial and boundary conditions for the three-dimensional CFD model. CONVERGE CFD v2.4 was used for the three-dimensional CFD modeling where the level set G-Equation model and SAGE detailed chemical kinetics solver were used. An assessment of the different modeling approaches is also provided to evaluate their limitations, advantages and disadvantages, and for which situations they are most applicable. Model validation was performed with experimental data taken with a CFR engine over varying compression ratio, CA50, EGR fraction, and IMEP and shows good agreement in Peak Cylinder Pressure (PCP), PCP crank angle, and the location of the 10%, 50%, and 90% mass fraction burned (CA10, CA50, and CA90, respectively). The models can predict the onset crank angle and pressure rise rate for light, medium, and heavy EGAI under a variety of fuel reactivities and engine operating conditions.

Bestel, Diego↗
DOE OSTI2024

Investigating the potential of a higher reactivity fuel to achieve faster heat-up of aftertreatment systems

Shortening the aftertreatment system heat-up period will be crucial to meet upcoming emissions regulations, which mandate significant reductions in tail-pipe emissions for on-road heavy-duty vehicles. This work studies the impact of increasing fuel reactivity on the combustion of post injections during the expansion stroke. The work demonstrates an operating strategy using a blend of di-butyl ether (a potential low-carbon biofuel component) and #2 diesel that achieves higher exhaust enthalpy, while maintaining similar engine-out emissions (NOx and combustion efficiency) in comparison to the baseline #2 diesel fuel (cetane number 41). On average, a 12% increase in exhaust enthalpy was observed for the blend (cetane number 60) relative to the baseline fuel. The ability to operate the higher reactivity fuel at a more retarded post-injection timing, where combustion with #2 diesel was found to be more unstable, and less complete was key to achieving higher exhaust enthalpy. However, a small fuel penalty (3%–5%) was also associated with the higher reactivity fuel with this operating strategy. The formation of fuel lean regions, due to the long ignition delays at late injection conditions, was predicted to be the leading contributor to the increased emissions of products of partial combustion. Here, chemical kinetic simulations using surrogates for the fuels used in the experiments, demonstrated the ability of a higher cetane fuel to outperform the baseline fuel under fuel lean conditions with equivalence ratios less than 0.7.

09 BIOMASS FUELS↗
DOE OSTI2023

Bioproduction and Evaluation of Renewable Butyl Acetate as a Desirable Bioblendstock for Diesel Fuel

The objective of this project was to develop an integrated bioprocess for efficient butyl acetate (BA) production through strain development using systematic genome engineering and MicroNiche Engineering™ technology (MNE). BA's potential as a bioblendstock for diesel fuel was evaluated through droplet experiments and Mixing Controlled Compression Ignition (MCCI) engine testing. The project aimed to achieve 30 g/L BA production with a yield of 0.4 g/g and a productivity of 0.6 g/L/h. The suitable composition of the blended fuel (BA/biodiesel) would be determined for MCCI engine application.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

DME-to-Propane Mixture Effects on a Light Duty Compression Ignition Engine

Fuels that can be produced in a sustainable manner are of high interest because they can provide an essential step toward net zero emissions vehicles. This study examines the combustion of two such fuels, Dimethyl Ether (DME) and propane, in a compression ignition, 4-cylinder, 2.2L engine running with mixtures of DME-to-Propane ranging of 100%-0%, 85%-15%, 75%-25%, and 65%-35% by weight. Testing was conducted at 2000rpm - 100Nm, an important representative point in the FTP certification cycle. For each fuel mixture, conditions tested include sweeps of boost, EGR and injection pressure. Here, tests are mainly conducted at a constant combustion timing with CA10 of -1 deg with respect to TDC, with an engine controller combustion feedback system based on in-cylinder sampling of pressure. Trends of NOx, HC, and CO are similar for the range of DME-to-propane, from 100%-0% to 75%-25%. Boost and injection pressures had the most notable impact on the heat release traces. Higher boost, from stoichiometric to lean resulted in approximately a 3-5% increase on cycle efficiency. Fuel injection pressures resulted in about 1% gain per 200bar. Results also illustrated that EGR is effective in reducing NOx but causes notable degradation of cycle efficiency. The emissions for DME-propane mixtures with 65%-35% had a different trend, with CO and HC exceeding the runs with lower propane content by 2 to 3-fold. As propane content increases, the pressure rise rates become higher, and with 65%-35% mixtures, rates easily exceed 12bar/deg. The increased rise rates correlate with early injection timings but the rates can be reduced, with higher boost and lower injection pressures. The result of the approach, however, leads to lower thermal efficiencies, decreasing efficiency by over 5% between neat DME and the highest propane ratios.

Combustion and combustion processes↗
DOE OSTI2022

Ducted fuel injection with Low-Net-Carbon fuels as a solution for meeting future emissions regulations

Several studies have proven how ducted fuel injection (DFI) reduces soot emissions for compression-ignition engines. Nevertheless, no comprehensive study has investigated how DFI performs over a load range in combination with low-net-carbon fuels. In this study, optical-engine experiments were performed with four different fuels—conventional diesel and three low-net-carbon fuels—at low and moderate load, to measure emissions levels and performance. The 1.7-liter single-cylinder optical engine was equipped with a high-speed camera to capture natural luminosity images of the combustion event. Conventional diesel and DFI combustion were investigated at four different dilution levels (to simulate exhaust-gas recirculation effects), from 14 to 21 mol% oxygen in the intake. At a given dilution level, with commercial diesel fuel, DFI reduced soot by 82% at medium load, and 75% at low load without increasing NO x . The results further show how DFI with dilution reduces soot and NO x without compromising engine performance or other emission types, especially when combined with low-net-carbon fuels. DFI with the oxygenated low-net-carbon blend HEA67 simultaneously reduced soot and NO x by as much as 93 % and 82 %, respectively, relative to conventional diesel combustion with commercial diesel fuel. These soot and NO x reductions occurred while lifecycle CO 2 was reduced by at least 70 % when using low-net-carbon fuels instead of conventional diesel. All emissions changes were compared with future emissions regulations for different vehicle sectors to investigate how DFI can be used to facilitate achievement of the regulations. Finally, the results show how the DFI cases fall below several future emissions regulation levels, rendering less need for aftertreatment systems and giving a possible lower cost of ownership.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Parametric evaluation of ducted fuel injection in an optically accessible mixing-controlled compression-ignition engine with two- and four-duct assemblies

Ducted fuel injection (DFI) is a strategy to improve fuel/charge-gas mixing in direct-injection compression-ignition engines. DFI involves injecting fuel along the axis of a small tube in the combustion chamber, which promotes the formation of locally leaner mixtures in the autoignition zone relative to conventional diesel combustion. Previous work has demonstrated that DFI is effective at curtailing engine-out soot emissions across a wide range of operating conditions. This study extends previous investigations, presenting engine-out emissions and efficiency trends between ducted two-orifice and ducted four-orifice injector tip configurations. For each configuration, parameters investigated include injection pressure, injection duration, intake manifold pressure, intake manifold temperature, start of combustion timing, and intake-oxygen mole fraction. For both configurations and across all parameters, DFI reduced engine-out soot emissions compared to conventional diesel combustion, with little effect on other emissions and engine efficiency. Emissions trends for both configurations were qualitatively the same across the parameters investigated. The four-duct configuration had higher thermal efficiency and indicated-specific engine-out nitrogen oxide emissions but lower indicated-specific engine-out hydrocarbon and carbon monoxide emissions than the two-duct assembly. Both configurations achieved indicated-specific engine-out emissions for both soot and nitrogen oxides that comply with current on- and off-road heavy-duty regulations in the United States without exhaust-gas aftertreatment at an intake-oxygen mole fraction of 12%. High-speed in-cylinder imaging of natural soot luminosity shows that some conditions include a second soot-production phase late in the cycle. The probability of these late-cycle events is sensitive to both the number of ducted sprays and the operating conditions.

Yraguen, Boni Frances↗
DOE OSTI2020

Diesel Generator Model Parameterization for Microgrid Simulation Using Hybrid Box-Constrained Levenberg-Marquardt Algorithm

Existing generator parameterization methods, typically developed for large turbine generator units, are difficult to apply to small kW-level diesel generators in microgrid applications. Here, this article presents a model parameterization method that estimates a complete set of kW-level diesel generator parameters simultaneously using only load-step-change tests with limited measurement points. This method provides a more cost-efficient and robust approach to achieve high-fidelity modeling of diesel generators for microgrid dynamic simulation. A two-stage hybrid box-constrained Levenberg-Marquardt (H-BCLM) algorithm is developed to search the optimal parameter set given the parameter bounds. A heuristic algorithm, namely Generalized Opposition-based Learning Genetic Algorithm (GOL-GA), is applied to identify proper initial estimates at the first stage, followed by a modified Levenberg-Marquardt algorithm designed to fine tune the solution based on the first-stage result. The proposed method is validated against dynamic simulation of a diesel generator model and field measurements from a 16kW diesel generator unit.

42 ENGINEERING↗
DOE OSTI2025

Dual-Fuel Ammonia Equivalence Ratio Sweep Data

Ammonia (NH3) has garnered significant interest as an alternative fuel for meeting international emissions reduction mandates in sectors with high weight and distance requirements, such as shipping. Technical barriers and unanswered questions remain on the combustion strategies that can maximize ammonia utilization and minimize emissions. Prior research studies at the US Department of Energy’s Oak Ridge National Laboratory have shown strong performance with NH3 under dual-fuel mode using conventional diesel combustion (CDC) manifold air pressure settings. Diesel airflow was initially used to simplify retrofitting (no turbocharger modification), which resulted in air-fuel equivalence ratios (λ) greater than 1.5. To characterize potential improvements in dual-fuel NH3 combustion performance at richer in-cylinder conditions, a global λ sweep compared the use of early (E-pilot) and late (L-pilot) single diesel injections. The experiments were conducted at 1200 RPM and 12.8 ± 0.2 bar (75 % load), and λ was varied by decreasing the commanded air flow to the engine at greater than 90 % ammonia energy substitution level. A diesel injection timing sweep was conducted for both the injection strategies at fixed λ, and the timing with the lowest engine-out N2O emissions was identified. The results indicated an optimal balance between CO2,eq and thermal efficiency benefits both E-pilot and L-pilot injection strategy cases compared with CDC at a λ of 1.4. The indicated nitrogen-based emissions exhibited a strong correlation to the ratio of CA5–50 and ignition delay for L-pilot, but no apparent trend emerged for the E-pilot injection strategy at the tested boundary conditions. This dataset includes the raw experimental data and documentation of the experiment conditions and methods.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Catalytic upgrading of ethanol to C8+ distillate range ethers via Guerbet coupling and etherification

In this presentation we describe the catalytic approaches for conversion of ethanol into diesel fuel ethers. This involves first alcohol oligomerization, followed by acid-catalyzed dehydration. As we will show in this presentation, ethanol can be converted to higher linear and α-branched alcohols by C-C coupling reactions (ethanol oligomerization) as well as to high molecular weight esters by C-O coupling reactions with Cu/MgxAlOy (CuHT) catalysts. Alcohols may be converted to ethers via bimolecular dehydration in a subsequent step. We have identified more than 160 number of species in the products including alcohols, esters, aldehydes, ketones, and olefins. Alcohols range from C4 to C10. Both alcohols and esters follow a Schulz-Flory chain growth model. We show the relationship between the catalyst properties (BET surface area, acid and base site count and Cu loading and synthesis method) and the performance in the reactions. We also show that physical mixtures of CuHT and HT can have similar product selectivity of low loading CuHT catalysts. The selectivity towards diesel fuel precursor compounds (hereafter ‘DFPC’) increased with conversion until reaching a plateau at high ethanol conversion (~70%). Alcohol selectivity follows a Schultz-Flory distribution at all studied conversions, and that adsorbed ethanol-derived species may undergo surface oligomerization into 1-butanol and higher alcohols before desorbing in a chain-growth mechanism. Zeolite catalysts convert the C4+ alcohols into C8+ ethers in both batch and continuous flow reactors. Selectivities of up to 80% to C8+ ethers at around 70% conversion using a single pass continuous flow system are achieved. The final product feedstocks obtained from etherification have been used in technoeconomic (TEA) and lifecycle analysis (LCA), which indicate a reduction in greenhouse gas (GHG) emissions of 50% relative to conventional diesel and diesel fuel prices that are lower than biodiesel. These final feedstocks are undergoing engine testing to elucidate the physiochemical properties and compare well to diesel #2 ASTM standards.

Huber, George↗
DOE OSTI2024

Numerical investigation of equivalence ratio effects on Flex-Fuel mixing controlled combustion enabled by prechamber ignition

There is interest in adapting renewable and low-carbon intensity fuels to heavy-duty engines to help displace criteria and greenhouse gas emissions associated with diesel combustion. Low-carbon fuels have inherently low cetane numbers and thus pose a significant challenge when considering direct substitution in diesel combustion systems. Use of an actively fueled prechamber as an ignition source to initiate mixing-controlled combustion (PC-MCC) of low-cetane fuels is becoming an attractive combustion mode to alleviate the identified reactivity deficit. This work focuses on the utilization of an active prechamber to facilitate diesel-like combustion of bioethanol-gasoline fuel blends in a heavy-duty engine. Recent results in this emerging technology suggest that ignition quality is uniquely coupled to prechamber equivalence ratio. In this numerical study, the fundamental implications of prechamber equivalence ratio on the ignition performance of direct injected fuels ranging from E10 to E100 are investigated using CONVERGE. Parametric studies of the prechamber operating strategy were assessed at diesel-like conditions to characterize the performance trends relative to a diesel baseline at the same boundary conditions. Simulation results indicate that PC-MCC is flex-fuel capable and achieves diesel-like ignition qualities and combustion processes for all fuels considered under stoichiometric and rich prechamber conditions. To characterize the equivalence ratio trends observed, a novel inflow boundary modeling technique was utilized to prescribe turbulent jets in place of the prechamber where selective speciation of the jet composition was conducted to isolate the ignition contributions of radical and reacting species in lean, stoichiometric, and rich jets. The inflow boundary modeling suggests that excess fuel and combustion intermediates present in jets produced from stratified and fuel-rich prechamber operation promotes higher jet temperatures and as such are superior ignition sources. Relative to a lean prechamber jet, the peak temperature of a reacting jet from a rich prechamber was up to 600 K hotter at fixed distances from the orifice exit. Furthermore, radicals also demonstrated an influence on the ignition process, but the combustion mode was identified to be thermally dominant.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Advanced Engine and Fuel Technologies Annual Progress Report (FY2019)

On behalf of the Vehicle Technologies Office of the U.S. Department of Energy, we are pleased to introduce the Fiscal Year (FY) 2019 Annual Progress Report for the Advanced Engine and Fuel Technologies Program. In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Program focuses on early-stage research and development to improve understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to cost-effectively develop the next generation of engines and fuels. One of the most promising and cost-effective approaches to improving the fuel economy of the U.S. vehicle fleet is to introduce the next generation of higher-efficiency, very-low-emission combustion engines that meet future federal emissions regulations into the passenger and commercial vehicle markets. Advanced fuel formulations that can incorporate non-petroleum-based blending agents could further enhance engine efficiency, reduce greenhouse gas emissions, and provide fuel diversification. Also, innovations in combustion, fuels, emissions control, air control, turbomachinery, and energy recovery could potentially increase fuel economy considerably compared to today’s vehicles. The expected national economic, environmental, and energy security benefits from these next-generation engines and fuels would be significant inasmuch as the majority of vehicles sold over the next several decades will still include an engine. The Program has set the following goals for passenger and commercial vehicle fuel economy improvements. By 2030, increase light-duty engine efficiency to demonstrate 35% improvement in passenger vehicle fuel economy (25% improvement from engine efficiency and 10% from fuel co-optimization) relative to a 2015 baseline vehicle, while meeting the U.S. Environmental Protection Agency Tier 3 Emission and Fuel Standards. By 2030, improve heavy-duty engine efficiency by 35% relative to a 2009 baseline vehicle and identify cost-effective high-performance fuels that can further increase efficiency up to an additional 4%, while meeting prevailing U.S. Environmental Protection Agency emissions standards. The Program utilized advanced combustion processes to increase engine efficiency, resulting in a modeled passenger vehicle fuel economy improvement of 19.4% (over a Model Year 2015 baseline) in FY 2019. This report highlights progress achieved by the Advanced Engine and Fuel Technologies Program during FY 2019. The nature, current focus, and recent progress of the Program are described together with summaries of National Laboratory, industry, and university projects that provide an overview of the exciting work being conducted to address critical technical barriers and challenges to commercializing the next generation of higher-efficiency engine, emissions control, and fuel technologies for passenger and commercial vehicles.

33 ADVANCED PROPULSION SYSTEMS↗