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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.

Spray-wall interactions in diesel engines have a strong influence on turbulent flow evolution and mixing, which influences the engine’s thermal efficiency and pollutant-emissions behavior. Previous optical experiments and numerical investigations of a stepped-lip diesel piston bowl focused on how spray-wall interactions influence the formation of squish-region vortices and their sensitivity to injection timing. Such vortices are stronger and longer-lived at retarded injection timings and are correlated with faster late-cycle heat release and soot reductions, but are weaker and shorter-lived as injection timing is advanced. Computational fluid dynamics (CFD) simulations predict that piston bowls with more space in the squish region can enhance the strength of these vortices at near-TDC injection timings, which is hypothesized to further improve peak thermal efficiency and reduce emissions. The dimpled stepped-lip (DSL) piston is such a design.

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.

Appropriate spray modeling in multidimensional simulations of diesel engines is well known to affect the overall accuracy of the results. More and more accurate models are being developed to deal with drop dynamics, breakup, collisions, and vaporization/multiphase processes; the latter ones being the most computationally demanding. In fact, in parallel calculations, the droplets occupy a physical region of the in-cylinder domain, which is generally very different than the topology-driven finite-volume mesh decomposition. This makes the CPU decomposition of the spray cloud severely uneven when many CPUs are employed, yielding poor parallel performance of the spray computation. Furthermore, mesh-independent models such as collision calculations require checking of each possible droplet pair, which leads to a practically intractable O(np2/2) computational cost, np being the total number of droplets in the spray cloud, and additional overhead for parallel communications.

Minimizing heat-transfer (HT) losses is important for both improving engine efficiency and increasing exhaust energy for turbocharging and exhaust aftertreatment management, but engine combustion system design to minimize these losses is hindered by significant uncertainties in prediction. Empirical HT correlations such as the popular Woschni model have been developed and various attempts at improving predictions have been proposed since the 1960s, but due to variations in facilities and techniques among various studies, comparison and assessment of modelling approaches among multiple combustion modes is not straightforward. In this work, simultaneous cylinder-wall temperature and OH* chemiluminescence high-speed video are all recorded in a single heavy-duty optical engine operated under multiple combustion modes. OH* chemiluminescence images provide additional insights for identifying the causes of near-wall heat flux changes.

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.

In this work we studied the effects of piston bowl design on combustion in a small-bore direct-injection diesel engine. Two bowl designs were compared: a conventional, omega-shaped bowl and a stepped-lip piston bowl. Experiments were carried out in the Sandia single-cylinder optical engine facility, with a medium-load, mild-boosted operating condition featuring a pilot+main injection strategy. CFD simulations were carried out with the FRESCO platform featuring full-geometric body-fitted mesh modeling of the engine and were validated against measured in-cylinder performance as well as soot natural luminosity images. Differences in combustion development were studied using the simulation results, and sensitivities to in-cylinder flow field (swirl ratio) and injection rate parameters were also analyzed.

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.

Engine experiments have revealed the importance of fuel condensation on the emission characteristics of low temperature combustion. However, direct in-cylinder experimental evidence has not been reported in the literature. In this paper, the in-cylinder condensation processes observed in optically accessible engine experiments are first illustrated. The observed condensation processes are then simulated using state-of-the-art multidimensional engine CFD simulations with a phase transition model that incorporates a well-validated phase equilibrium numerical solver, in which a thermodynamically consistent phase equilibrium analysis is applied to determine when mixtures become unstable and a new phase is formed. The model utilizes fundamental thermodynamics principles to judge the occurrence of phase separation or combination by minimizing the system Gibbs free energy.

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.

Although accumulated in-cylinder soot can be measured by various optical techniques, discerning soot formation rates from oxidation rates is more difficult. Various optical measurements have pointed toward ways to affect in-cylinder soot oxidation, but evidence of effects of operational variables on soot formation is less plentiful. The formation of soot and its precursors, including polycyclic aromatic hydrocarbons (PAHs), are strongly dependent on temperature, so factors affecting soot formation may be more evident at low-temperature combustion conditions. Here, in-cylinder PAHs are imaged by planar laser-induced fluorescence (PAH-PLIF) using three different excitation wavelengths of 355, 532, and 633 nm, to probe three different size-classes of PAH from 2-3 to 10+ rings. Simultaneous planar laser-induced incandescence of soot (soot-PLII) using 1064-nm excitation provides complementary imaging of soot formation near inception.

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.

To meet stringent emissions regulations, filtration devices are often used in engine exhaust systems to reduce particulate mass (PM) and particulate number (PN). Diesel particulate filters (DPFs) are a well-established means of reducing PM from diesel engines to meet emissions regulations. New emissions regulations will most likely require a similar technology on gasoline engines with direct injection, gasoline particulate filters (GPFs). Due to differences in the exhaust and particulate characteristics, the design and operation of GPFs and DPFs differ. In a DPF filtration is dominated by the buildup of a soot cake. Whereas in a GPF, much of the soot is trapped inside the porous substrate, or filter wall, where deep-bed filtration is dominant. Thus, an accurate model describing the porous filtration properties of GPF substrates is desired. The pore filtration model (PFM) was developed to more accurately model the deep-bed filtration process that occurs in a GPF.