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The possibility to operate current diesel engines in dual-fuel mode with the addition of an alternative fuel is fundamental to accelerate the energy transition to achieve carbon neutrality. The simulation of the dual- fuel combustion process with 0D/1D combustion models is fundamental for the performance prediction, but still particularly challenging, due to chemical interactions of the mixture. The authors defined a novel data-driven workflow for the development of combustion reaction mechanisms and used it to generate a dual-fuel mechanism for Ammonia and Diesel Primary Reference Fuels (DPRF) suitable for efficient combustion simulations in heavy duty engines, with variable cetane number Diesel fuels. A baseline reaction mechanism was created by merging the detailed ammonia mechanism by Glarborg et al. with reaction pathways for n- hexadecane and 2,2,4,4,6,8,8-heptamethylnonane from a well-established multi-component fuel mechanism.

Lithium-ion and Lithium polymer batteries are fast becoming ubiquitous in high-discharge rate applications for military and non-military systems. Applications such as small aerial vehicles and energy transfer systems can often function at C-rates greater than 1. To maximize system endurance and battery health, there is a need for models capable of precisely estimating the battery state-of-charge (SoC) under all temperature and loading conditions. However, the ability to perform state estimation consistently and accurately to within 1% error has remained unsolved. Doing so can offer enhanced endurance, safety, reliability, and planning, and additionally, simplify energy management. Therefore, the work presented in this paper aims to study and develop experimentally validated mathematical models capable of high-accuracy battery SoC estimation.

Opposed-piston 2-stroke (OP-2S) engines have the potential to achieve higher thermal efficiency than a typical diesel engine. However, the uniflow scavenging process is difficult to control over a wide range of speeds and loads. Scavenging performance is highly sensitive to pressure dynamics, port timings, and port design. This study proposes an analysis of the effects of port vane angle on the scavenging performance of an opposed-piston 2-stroke engine via simulation. A CFD model of a three-cylinder opposed-piston 2-stroke was developed and validated against experimental data collected by Achates Power Inc. One of the three cylinders was then isolated in a new model and simulated using cycle-averaged and cylinder-averaged initial/boundary conditions. This isolated cylinder model was used to efficiently sweep port angles from 12 degrees to 29 degrees at different pressure ratios.

As the global economy grows, so does the demand for heavy-duty commercial vehicles, both on-road and off-road. Currently, these vehicles are powered almost entirely by diesel engines. There is an imminent need to reduce the greenhouse gases (GHG) from this growing sector, but alternatives to the internal combustion engine face many challenges and can increase GHG emissions. For example, through simple analysis, this work will show that a Class 8 long haul on-highway truck powered entirely by battery electrics and charged from the average US electrical grid, yields significantly higher CO2 emissions per ton-mile as compared to an engine using alternative fuels. Thus, the most pragmatic and impactful way to reduce GHG emissions in commercial vehicles is using low carbon alternative fuels, such as ethanol made from renewable sources.

The use of Thermal Barrier Coatings (TBCs) has been shown to be a promising technology to improve internal combustion engine efficiencies by reducing heat rejection to the coolant and oil. In recent studies, temperature swing coatings that have simultaneously low volumetric heat capacity and low thermal conductivity have been shown to be particularly promising in this regard. In this study, a traditional and a newer swing coating are applied to the piston of an on-road medium-duty diesel engine to assess the benefits of their use. An analytical wall temperature model is coupled to the 1-D engine simulation software GT-POWER and predictions of wall temperature, heat transfer and chemical heat release rate are presented. The swing coating is found to yield an ~1.2% efficiency benefit at the highest load condition studied alongside an 80°C improvement in exhaust temperature at the lowest load condition studied compared to a reference uncoated piston.

This work explores the effectiveness of common rail fuel injectors equipped with Grouped Hole Nozzles (GHNs) in aiding the mixing process and reducing particulate matter (PM) emissions of Conventional Diesel Combustion (CDC) engines, while maintaining manageable Oxides of Nitrogen (NOx) levels. Parallel (pGHN), converging (cGHN) and diverging (dGHN) - hole GHNs were studied and the results were compared to a conventional, single hole nozzle (SHN) with the same flow area. The study was conducted on a single cylinder medium-duty engine to isolate the effects of the combustion from multi-cylinder effects and the conditions were chosen to be representative of a typical mid-load operating point for an on-road diesel engine. The effects of injection pressure and the Start of Injection (SOI) timing were explored and the tradeoffs between these boundary conditions are examined by using a response surface fitting technique, to identify an optimum operating condition.

A new generation of low heat capacitance Thermal Barrier Coatings (TBCs) has been developed under U.S. Dept. of Energy / Advanced Research Projects Agency - Energy (ARPA-E) sponsored research. The TBCs developed under this project have significantly lower thermal conductivity of < 0.35 W/m-K, thermal heat capacitance of < 500 kJ/m3-K, and density of <0.35 g/cm3. Two different binder types were used for thermal barrier coatings applied by High Velocity Low Pressure (HVLP) spraying to the piston, cylinder head, and valve combustion surfaces of a small natural gas engine. The effects of thermal barrier coatings on engine efficiency and knock characteristics were studied in a small, high compression ratio, spark-ignition, internal combustion engine operating on methane number fuels from 60 to 100. The new TBCs with low thermal conductivity and low thermal heat capacities have been shown to increase overall engine efficiency through reduced heat transfer to the piston and cylinder head.

Dual-fuel reactivity controlled compression ignition (RCCI) combustion is a promising method to achieve high efficiency with near-zero NOx and soot emissions; however, the requirement to carry two fuels on board limits practical application. Advancements in catalytic reforming have demonstrated the ability to generate syngas (a mixture of CO and hydrogen) from a single hydrocarbon stream. This syngas mixture can then be used as the low reactivity fuel stream to enable single fuel RCCI combustion. The present effort uses a combination of engine experiments and system level modeling to investigate reformed fuel RCCI combustion. The impact of reformer composition is investigated by varying the syngas composition from 10% H2 to approximately 80% H2. The results of the investigation show that reformed fuel RCCI combustion is possible over a wide range of H2/CO ratios.

A genetic algorithm (GA) optimization methodology is applied to the design of the combustion system of a heavy-duty (HD) Diesel engine fueled with dimethyl ether (DME). The study has two objectives, the optimization of a conventional diffusion-controlled combustion system aiming to achieve US2010 targets and the optimization of a stoichiometric combustion system coupled with a three way catalyst (TWC) to further control NOx emissions and achieve US2030 emission standards. These optimizations include the key combustion system related hardware, bowl geometry and injection nozzle design as input factors, together with the most relevant air management and injection settings. The GA was linked to the KIVA CFD code and an automated grid generation tool to perform a single-objective optimization. The target of the optimizations is to improve net indicated efficiency (NIE) while keeping NOx emissions, peak pressure and pressure rise rate under their corresponding target levels.

Reactivity Controlled Compression Ignition (RCCI) has been shown to be an attractive concept to achieve clean and high efficiency combustion. RCCI can be realized by applying two fuels with different reactivities, e.g., diesel and gasoline. This motivates the idea of using a single low reactivity fuel and direct injection (DI) of the same fuel blended with a small amount of cetane improver to achieve RCCI combustion. In the current study, numerical investigation was conducted to simulate RCCI and HCCI combustion and emissions with various fuels, including gasoline/diesel, iso-butanol/diesel and iso-butanol/iso-butanol+di-tert-butyl peroxide (DTBP) cetane improver. A reduced Primary Reference Fuel (PRF)-iso-butanol-DTBP mechanism was formulated and coupled with the KIVA computational fluid dynamic (CFD) code to predict the combustion and emissions of these fuels under different operating conditions in a heavy duty diesel engine.

A novel 2-zone combustion chamber concept (patent pending) was developed using multi-dimensional modeling. At minimum volume, an axial projection in the piston divides the volume into distinct zones joined by a communication channel. The projection provides a means to control the mixture formation and combustion phasing within each zone. The novel combustion system was applied to reactivity controlled compression ignition (RCCI) combustion in both light-duty and heavy-duty diesel engines. Results from the study of an 8.8 bar BMEP, 2600 RPM operating condition are presented for the light-duty engine. The results from the heavy-duty engine are at an 18.1 bar BMEP, 1200 RPM operating condition. The effect of several major design features were investigated including the volume split between the inner and outer combustion chamber volumes, the clearance (squish) height, and the top ring land (crevice) volume.

The tradeoff between NOx emissions and combustion instability in an engine operating in the dual-fuel Reactivity Controlled Compression Ignition (RCCI) combustion mode was investigated using a combination of engine experiments and detailed CFD modeling. Experiments were performed on a single cylinder version of a General Motors/Fiat JTD 1.9L four-cylinder diesel engine. Gasoline was injected far upstream of the intake valve using an air assisted injector and fuel vaporization system and diesel was injected directly into the cylinder using a common rail injector. The timing of the diesel injection was swept from −70° ATDC to −20° ATDC while the gasoline percentage was adjusted to hold the average combustion phasing (CA50) and load (IMEPg) constant at 0.5° ATDC and 7 bar, respectively. At each operating point the variation in IMEP, peak PRR, and CA50 was calculated from the measured cylinder pressure trace and NOx, CO, soot and UHC were recorded.

The focus of the present study was to characterize Reactivity Controlled Compression Ignition (RCCI) using a single-fuel approach of gasoline and gasoline mixed with a commercially available cetane improver on a multi-cylinder engine. RCCI was achieved by port-injecting a certification grade 96 research octane gasoline and direct-injecting the same gasoline mixed with various levels of a cetane improver, 2-ethylhexyl nitrate (EHN). The EHN volume percentages investigated in the direct-injected fuel were 10, 5, and 2.5%. The combustion phasing controllability and emissions of the different fueling combinations were characterized at 2300 rpm and 4.2 bar brake mean effective pressure over a variety of parametric investigations including direct injection timing, premixed gasoline percentage, and intake temperature. Comparisons were made to gasoline/diesel RCCI operation on the same engine platform at nominally the same operating condition.

In this work computational and experimental approaches are combined to characterize in-cylinder flow structures and local flow field properties during operation of the Sandia 1.9L light-duty optical Diesel engine. A full computational model of the single-cylinder research engine was used that considers the complete intake and exhaust runners and plenums, as well as the adjustable throttling devices used in the experiments to obtain different swirl ratios. The in-cylinder flow predictions were validated against an extensive set of planar PIV measurements at different vertical locations in the combustion chamber for different swirl ratio configurations. Principal Component Analysis was used to characterize precession, tilting and eccentricity, and regional averages of the in-cylinder turbulence properties in the squish region and the piston bowl.

In the current work, a series-hybrid vehicle has been constructed that utilizes a dual-fuel, Reactivity Controlled Compression Ignition (RCCI) engine. The vehicle is a 2009 Saturn Vue chassis and a 1.9L turbo-diesel engine converted to operate with low temperature RCCI combustion. The engine is coupled to a 90 kW AC motor, acting as an electrical generator to charge a 14.1 kW-hr lithium-ion traction battery pack, which powers the rear wheels by a 75 kW drive motor. Full vehicle testing was conducted on chassis dynamometers at the Vehicle Emissions Research Laboratory at Ford Motor Company and at the Vehicle Research Laboratory at Oak Ridge National Laboratory. For this work, the US Environmental Protection Agency Highway Fuel Economy Test was performed using commercially available gasoline and ultra-low sulfur diesel. Fuel economy and emissions data were recorded over the specified test cycle and calculated based on the fuel properties and the high-voltage battery energy usage.

While Low Temperature Combustion (LTC) strategies such as Reactivity Controlled Compression Ignition (RCCI) exhibit high thermal efficiency and produce low NOx and soot emissions, low load operation is still a significant challenge due to high unburnt hydrocarbon (UHC) and carbon monoxide (CO) emissions, which occur as a result of poor combustion efficiencies at these operating points. Furthermore, the exhaust gas temperatures are insufficient to light-off the Diesel Oxidation Catalyst (DOC), thereby resulting in poor UHC and CO conversion efficiencies by the aftertreatment system. To achieve exhaust gas temperature values sufficient for DOC light-off, combustion can be appropriately phased by changing the ratio of gasoline to diesel in the cylinder, or by burning additional fuel injected during the expansion stroke through post-injection.

The application of close-coupled post injections in diesel engines has been proven to be an effective in-cylinder strategy for soot reduction, without much fuel efficiency penalty. But due to the complexity of in-cylinder combustion, the soot reduction mechanism of post-injections is difficult to explain. Accordingly, a simulation study using a three dimensional computational fluid dynamics (CFD) model, coupled with the SpeedChem chemistry solver and a semi-detailed soot model, was carried out to investigate post-injection in a constant volume combustion chamber, which is more simple and controllable with respect to the boundary conditions than an engine. A 2-D axisymmetric mesh of radius 2 cm and height 5 cm was used to model the spray. Post-injection durations and initial oxygen concentrations were swept to study the efficacy of post-injection under different combustion conditions.

The present experimental engine efficiency study explores the effects of intake pressure and temperature, and premixed and global equivalence ratios on gross thermal efficiency (GTE) using the reactivity controlled compression ignition (RCCI) combustion strategy. Experiments were conducted in a heavy-duty single-cylinder engine at constant net load (IMEPn) of 8.45 bar, 1300 rev/min engine speed, with 0% EGR, and a 50% mass fraction burned combustion phasing (CA50) of 0.5°CA ATDC. The engine was port fueled with E85 for the low reactivity fuel and direct injected with 3.5% 2-ethylhexyl nitrate (EHN) doped into 91 anti-knock index (AKI) gasoline for the high-reactivity fuel. The resulting reactivity of the enhanced fuel corresponds to an AKI of approximately 56 and a cetane number of approximately 28. The engine was operated with a wide range of intake pressures and temperatures, and the ratio of low- to high-reactivity fuel was adjusted to maintain a fixed speed-phasing-load condition.

An experimental study has been conducted to provide insight into heat transfer to the piston of a light-duty single-cylinder research engine under Conventional Diesel (CDC), Homogeneous Charge Compression Ignition (HCCI), and Reactivity Controlled Compression Ignition (RCCI) combustion regimes. Two fast-response surface thermocouples embedded in the piston top measured transient temperature. A commercial wireless telemetry system was used to transmit thermocouple signals from the moving piston. A detailed comparison was made between the different combustion regimes at a range of engine speed and load conditions. The closed-cycle integrated and peak heat transfer rates were found to be lower for HCCI and RCCI when compared to CDC. Under HCCI operation, the peak heat transfer rate showed sensitivity to the 50% burn location.

One in-cylinder strategy for reducing soot emissions from diesel engines while maintaining fuel efficiency is the use of close-coupled post injections, which are small fuel injections that follow the main fuel injection after a short delay. While the in-cylinder mechanisms of diesel combustion with single injections have been studied extensively and are relatively well understood, the in-cylinder mechanisms affecting the performance and efficacy of post injections have not been clearly established. Here, experiments from a single-cylinder heavy-duty optical research engine incorporating close- coupled post injections are modeled with three dimensional (3D) computational fluid dynamics (CFD) simulations. The overall goal is to complement experimental findings with CFD results to gain more insight into the relationship between post-injections and soot. This paper documents the first stage of CFD results for simulating and analyzing the experimental conditions.