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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.

We propose a novel dual-fuel combustion model for simulating heavy-duty engines with the G-Equation. Dual-Fuel combustion strategies in such engines features direct injection of a high-reactivity fuel into a lean, premixed chamber which has a high resistance to autoignition. Distinct combustion modes are present: the DI fuel auto-ignites following chemical ignition delay after spray vaporization and mixing; a reactive front is formed on its surroundings; it develops into a well-structured turbulent flame, which propagates within the premixed charge. Either direct chemistry or the flame-propagation approach (G- Equation), taken alone, do not produce accurate results. The proposed Dual-Fuel model decides what regions of the combustion chamber should be simulated with either approach, according to the local flame state; and acts as a “kernel” model for the G- Equation model. Direct chemistry is run in the regions where a premixed front is not present.

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.

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.

In most large-eddy simulation (LES) applications to two-phase engine flows, the liquid-air interactions need to be accounted for as source terms in the respective governing equations. Accurate calculation of these source terms requires the relative velocity “seen” by liquid droplets as they move across the flow, which generally needs to be estimated using a turbulent dispersion model. Turbulent dispersion modeling in LES is very scarce in the literature. In most studies on engine spray flows, sub-grid scale (SGS) models for the turbulent dispersion still follow the same stochastic approach originally proposed for Reynolds-averaged Navier-Stokes (RANS). In this study, an SGS dispersion model is formulated in which the instantaneous gas velocity is decomposed into a deterministic part and a stochastic part. The deterministic part is reconstructed using the approximate deconvolution method (ADM), in which the large-scale flow can be readily calculated.

Diesel piston bowl geometry can affect turbulent mixing and therefore it impacts heat-release rates, thermal efficiency, and soot emissions. The focus of this work is on the effects of bowl geometry and injection timing on turbulent flow structure. This computational study compares engine behavior with two pistons representing competing approaches to combustion chamber design: a conventional, re-entrant piston bowl and a stepped-lip piston bowl. Three-dimensional computational fluid dynamics (CFD) simulations are performed for a part-load, conventional diesel combustion operating point with a pilot-main injection strategy under non-combusting conditions. Two injection timings are simulated based on experimental findings: an injection timing for which the stepped-lip piston enables significant efficiency and emissions benefits, and an injection timing with diminished benefits compared to the conventional, re-entrant piston.

Although turbocharging can extend the high load limit of low temperature combustion (LTC) strategies such as reactivity controlled compression ignition (RCCI), the low exhaust enthalpy prevalent in these strategies necessitates the use of high exhaust pressures for improving turbocharger efficiency, causing high pumping losses and poor fuel economy. To mitigate these pumping losses, the divided exhaust period (DEP) concept is proposed. In this concept, the exhaust gas is directed to two separate manifolds: the blowdown manifold which is connected to the turbocharger and the scavenging manifold that bypasses the turbocharger. By separately actuating the exhaust valves using variable valve actuation, the exhaust flow is split between two manifolds, thereby reducing the overall engine backpressure and lowering pumping losses. In this paper, results from zero-dimensional and one-dimensional simulations of a multicylinder RCCI light-duty engine equipped with DEP are presented.

A swept-volume method of calculating the volume swept by the flame during each time step is developed and used to improve the calculation of fuel reaction rates. The improved reaction rates have been applied to the ignition model and coupled with the level set G-equation combustion model. In the ignition model, a single initial kernel is formed after which the kernel is convected by the gas flow and its growth rate is determined by the flame speed and thermal expansion due to the energy transfer from the electrical circuit. The predicted ignition kernel size was compared with the available experimental data and good agreements were achieved. Once the ignition kernel reaches a size when the fully turbulent flame is developed, the G-equation model is switched on to track the mean turbulent flame front propagation.

In light- and medium-duty diesel engines, piston bowl shape influences thermal efficiency, either due to changes in wall heat loss or to changes in the heat release rate. The relative contributions of these two factors are not clearly described in the literature. In this work, two production piston bowls are adapted for use in a single cylinder research engine: a conventional, re-entrant piston, and a stepped-lip piston. An injection timing sweep is performed at constant load with each piston, and heat release analyses provide information about thermal efficiency, wall heat loss, and the degree of constant volume combustion. Zero-dimensional thermodynamic simulations provide further insight and support for the experimental results. The effect of bowl geometry on wall heat loss depends on injection timing, but changes in wall heat loss cannot explain changes in efficiency.

Natural gas is a promising alternative fuel for internal combustion engines due to its rich reserves and low price, as well as good physical and chemical properties. Its low carbon structure and high octane number are beneficial for CO2 reduction and knock mitigation, respectively. Diesel and natural gas dual fuel combustion is a viable pathway to utilize natural gas in diesel engines. To achieve high efficiency and low emission combustion in a practical diesel engine over a wide range of operating conditions, understanding the performance responses to engine system parameter variations is needed. The controllability of two combustion strategies, diesel pilot ignition (DPI) and single injection reactivity controlled compression ignition (RCCI), were evaluated using the multi-dimension CFD simulation in this paper.

Large-eddy simulation (LES) is a useful approach for the simulation of turbulent flow and combustion processes in internal combustion engines. This study employs the ANSYS Forte CFD package and explores several key and fundamental components of LES, namely, the subgrid-scale (SGS) turbulence models, the numerical schemes used to discretize the transport equations, and the computational mesh. The SGS turbulence models considered include the classic Smagorinsky model and a dynamic structure model. Two numerical schemes for momentum convection, quasi-second-order upwind (QSOU) and central difference (CD), were evaluated. The effects of different computational mesh sizes controlled by both fixed mesh refinement and a solution-adaptive mesh-refinement approach were studied and compared. The LES models are evaluated and validated against several flow configurations that are critical to engine flows, in particular, to fuel injection processes.

Computational fluid dynamics of gas-fueled large-bore spark ignition engines with pre-chamber ignition can speed up the design process of these engines provided that 1) the reliability of the results is not affected by poor meshing and 2) the time cost of the meshing process does not negatively compensate for the advantages of running a computer simulation. In this work a flame propagation model that runs with arbitrary hybrid meshes was developed and coupled with the KIVA4-MHI CFD solver, in order to address these aims. The solver follows the G-Equation level-set method for turbulent flame propagation by Tan and Reitz, and employs improved numerics to handle meshes featuring different cell types such as hexahedra, tetrahedra, square pyramids and triangular prisms. Detailed reaction kinetics from the SpeedCHEM solver are used to compute the non-equilibrium composition evolution downstream and upstream of the flame surface, where chemical equilibrium is instead assumed.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

This paper is part of a larger body of experimental and computational work devoted to studying the role of close-coupled post injections on soot reduction in a heavy-duty optical engine. It is a continuation of an earlier computational paper. The goals of the current work are to develop new CFD analysis tools and methods and apply them to gain a more in depth understanding of the different in-cylinder environments into which fuel from main- and post-injections are injected and to study how the in-cylinder flow, thermal and chemical fields are transformed between start of injection timings. The engine represented in this computational study is a single-cylinder, direct-injection, heavy-duty, low-swirl engine with optical components. It is based on the Cummins N14, has a cylindrical shaped piston bowl and an eight-hole injector that are both centered on the cylinder axis. The fuel used was n-heptane and the engine operating condition was light load at 1200 RPM.

A pilot-main injection strategy is investigated for a part-load operating point in a single cylinder optical Diesel engine. As the energizing dwell between the pilot and main injections decreases below 200 μs, combustion noise reaches a minimum and a reduction of 3 dB is possible. This decrease in combustion noise is achieved without increased pollutant emissions. Injection schedules employed in the engine are analyzed with an injection analyzer to provide injection rates for each dwell tested. Two distinct injection events are observed even at the shortest dwell tested; rate shaping of the main injection occurs as the dwell is adjusted. High-speed elastic scattering imaging of liquid fuel is performed in the engine to examine initial liquid penetration rates.

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.

Control of the timing and magnitude of heat release is one of the biggest challenges for premixed compression ignition, especially when attempting to operate at high load. Single-fuel strategies such as partially premixed combustion (PPC) use direct injection of gasoline to stratify equivalence ratio and retard heat release, thereby reducing pressure rise rate and enabling high load operation. However, retarding the heat release also reduces the maximum work extraction, effectively creating a tradeoff between efficiency and noise. Dual-fuel strategies such as reactivity controlled compression ignition (RCCI) use premixed gasoline and direct injection of diesel to stratify both equivalence ratio and fuel reactivity, which allows for greater control over the timing and duration of heat release. This enables combustion phasing closer to top dead center (TDC), which is thermodynamically favorable.

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.

A novel 2-zone combustion system was examined at medium load operation consistent with loads in the light duty vehicle drive cycle (7.6 bar BMEP and 2600 rev/min). Pressure rise rate and noise can limit the part of the engine map where pre-mixed combustion strategies such as HCCI or RCCI can be used. The present 2-zone pistons have an axial projection that divides the near TDC volume into two regions (inner and outer) joined by a narrow communication channel defined by the squish height. Dividing the near TDC volume provides a means to prepare two fuel-air mixtures with different ignition characteristics. Depending on the fuel injection timing, the reactivity of the inner or outer volume can be raised to provide an ignition source for the fuel-air mixture in the other, less reactive volume. Multi-dimensional CFD modeling was used to design the 2-zone piston geometry examined in this study.