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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.

G-Equation models represent propagating flame fronts with an implicit two-dimensional surface representation (level-set). Level-set methods are fast, as transport source terms for the implicit surface can be solved with finite-volume operators on the finite-volume domain, without having to build the actual surface. However, they include approximations whose practical effects are not properly understood. In this study, we improved the numerics of the FRESCO CFD code’s G-Equation solver and developed a new method to simulate kernel growth using signed distance functions and the analytical sphere-mesh overlap. We analyzed their role for simulating propane/air flames, using three well-established constant-volume configurations: a one-dimensional, freely propagating laminar flame; a disc-shaped, constant-volume swirl combustor; and torch-jet flame development through an orifice from a two-chamber device.

Recent research on thermal reciprocating engines has focused on the influence of lubricant oil on the combustion process, which can lead to highly undesired super-knock events. Low-Speed Pre-Ignition (LSPI) events severely limit the further development of Direct Injection Spark Ignition Engines (DISI), preventing high efficiencies from being achieved. However, there is still a lack of knowledge about the fundamental mechanisms leading to LSPI, due to the complex phenomena involved and the interaction between lubricant oil and fuel. Understanding how the presence of lubricant oil traces affects gasoline chemical reactivity is an essential step for performing successful numerical simulations aimed at predicting the onset of LSPI phenomena. Reaction mechanisms able to predict oil-fuel interaction have been proposed, but they are computationally demanding.

The effect of an annular, piston bowl-rim cavity on in-cylinder and engine-out soot emissions is measured in a heavy-duty, optically accessible, single-cylinder diesel engine using in-cylinder soot diagnostics and exhaust smoke emission measurements. The baseline piston configuration consists of a right-cylindrical bowl, while the cavity-piston configuration features an additional annular cavity that is located below the piston bowl-rim and connected to the main-combustion chamber through a thin annular passage, accounting for a 3% increase in the clearance volume, resulting in a reduction in geometric compression ratio (CR) from 11.22 to 10.91. Experiments using the cavity-piston configuration showed a significant reduction of engine-out smoke ranging from 20-60% over a range of engine loads.

The spatial and temporal locations of autoignition depend on fuel chemistry and the temperature, pressure, and mixing trajectories in the fuel jets. Dual-fuel systems can provide insight into fuel-chemistry aspects through variation of the proportions of fuels with different reactivities, and engine operating condition variations can provide information on physical effects. In this context, the spatial and temporal progression of two-stage autoignition of a diesel-fuel surrogate, n-heptane, in a lean-premixed charge of synthetic natural gas (NG) and air is imaged in an optically accessible heavy-duty diesel engine. The lean-premixed charge of NG is prepared by fumigation upstream of the engine intake manifold.

Lagrangian spray modeling represents a critical boundary condition for multidimensional simulations of in-cylinder flow structure, mixture formation and combustion in internal combustion engines. Segregated models for injection, breakup, collision and vaporization are usually employed to pass appropriate momentum, mass, and energy source terms to the gas-phase solver. Careful calibration of each sub-model generally produces appropriate results. Yet, the predictiveness of this modeling approach has been questioned by recent experimental observations, which showed that at trans- and super-critical conditions relevant to diesel injection, classical atomization and vaporization behavior is replaced by a mixing-controlled phase transition process of a dense fluid. In this work, we assessed the shortcomings of classical spray modeling with respect to real-gas and phase-change behavior, employing a multicomponent phase equilibrium solver and liquid-jet theory.

Sector mesh modeling is the dominant computational approach for combustion system design optimization. The aim of this work is to quantify the errors descending from the sector mesh approach through three geometric modeling approaches to an optical diesel engine. A full engine geometry mesh is created, including valves and intake and exhaust ports and runners, and a full-cycle flow simulation is performed until fired TDC. Next, an axisymmetric sector cylinder mesh is initialized with homogeneous bulk in-cylinder initial conditions initialized from the full-cycle simulation. Finally, a 360-degree azimuthal mesh of the cylinder is initialized with flow and thermodynamics fields at IVC mapped from the full engine geometry using a conservative interpolation approach. A study of the in-cylinder flow features until TDC showed that the geometric features on the cylinder head (valve tilt and protrusion into the combustion chamber, valve recesses) have a large impact on flow complexity.

The long-term goal of this work is to develop a conceptual model for multiple injections of diesel jets. The current work contributes to that effort by performing a detailed modeling investigation into mechanisms that are predicted to control 1st and 2nd stage ignition in single-pulse diesel (n-dodecane) jets under different conditions. One condition produces a jet with negative ignition dwell that is dominated by mixing-controlled heat release, and the other, a jet with positive ignition dwell and dominated by premixed heat release. During 1st stage ignition, fuel is predicted to burn similarly under both conditions; far upstream, gases at the radial-edge of the jet, where gas temperatures are hotter, partially react and reactions continue as gases flow downstream. Once beyond the point of complete fuel evaporation, near-axis gases are no longer cooled by the evaporation process and 1st stage ignition transitions to 2nd stage ignition.

Surface film formation is an important phenomenon during spray impingement in a combustion chamber. The film that forms on the chamber walls and piston bowl produces soot post-combustion. While some droplets stick to the wall surface, others splash and interact with the gas present inside the combustion chamber. Accurate prediction of both the film thickness and splashed mass is crucial for surface film model development since it leads to a precise estimation of the amount of soot and other exhaust gases formed. This information could guide future studies aimed at a comprehensive understanding of the combustion process and might enable development of engines with reduced emissions. Dynamic structure Large Eddy Simulation (LES) turbulence model implemented for in-cylinder sprays [1] has shown to predict the flow structure of a spray more accurately than the Reynolds-averaged Navier-Stokes turbulence model.

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.

Reactivity Controlled Compression Ignition (RCCI) is an approach to increase engine efficiency and lower engine-out emissions by using in-cylinder stratification of fuels with differing reactivity (i.e., autoignition characteristics) to control combustion phasing. Stratification can be altered by varying the injection timing of the high-reactivity fuel, causing transitions across multiple regimes of combustion. When injection is sufficiently early, combustion approaches a highly-premixed autoignition regime, and when it is sufficiently late it approaches more mixing-controlled, diesel-like conditions. Engine performance, emissions, and control authority over combustion phasing with injection timing are most favorable in between, within the RCCI regime.

One way to develop an understanding of soot formation and oxidation processes that occur during direct injection and combustion in an internal combustion engine is to image the natural luminosity from soot over time. Imaging is possible when there is optical access to the combustion chamber. After the images are acquired, the next challenge is to properly interpret the luminous distributions that have been captured on the images. A major focus of this paper is to provide guidance on interpretation of experimental images of soot luminosity by explaining how radiation from soot is predicted to change as it is transmitted through the combustion chamber and to the imaging. The interpretations are only limited by the scope of the models that have been developed for this purpose. The end-goal of imaging radiation from soot is to estimate the amount of soot that is present.

In this work, linear, non-linear and a generalized renormalization group (RNG) two-equation RANS turbulence models of the k-epsilon form were compared for the prediction of turbulent compressible flows in diesel engines. The object-oriented, multidimensional parallel code FRESCO, developed at the University of Wisconsin, was used to test the alternative models versus the standard k-epsilon model. Test cases featured the academic backward facing step and the impinging gas jet in a quiescent chamber. Diesel engine flows featured high-pressure spray injection in a constant volume vessel from the Engine Combustion Network (ECN), as well as intake flows in a high-swirl diesel engine. For the engine intake flows, a model of the Sandia National Laboratories 1.9L light-duty single cylinder optical engine was used.

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.

In this paper, large eddy simulation (LES) coupled with two uncertainty quantification (UQ) methods, namely latin-hypercube sampling (LHS) and polynomial chaos expansion (PCE), have been used to quantify the effects of model parameters and spray boundary conditions on diesel and gasoline spray simulations. Evaporating, non-reacting spray data was used to compare penetration, mixture fraction and spray probability contour. Two different sets of four uncertain variables were used for diesel and gasoline sprays, respectively. UQ results showed good agreement between experiments and predictions. UQ statistics indicated that discharge coefficient has stronger impact on gasoline than diesel sprays, and spray cone angle is important for vapor penetration of both types of sprays. Additionally, examination of the gasoline spray characteristics showed that plume-to-plume interaction and nozzle dribble are important phenomena that need to be considered in high-fidelity gasoline spray simulations.