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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.

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 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.

Modeling ignition kernel development in spark ignition engines is crucial to capturing the sources of cyclic variability, both with RANS and LES simulations. Appropriate kernel modeling must ensure that energy transfer from the electrodes to the gas phase has the correct timing, rate and locations, until the flame surface is large enough to be represented on the mesh by the G-Equation level-set method. However, in most kernel models, geometric details driving kernel growth are missing: either because it is described as Lagrangian particles, or because its development is simplified, i.e., down to multiple spherical flames. This paper covers the geometric aspects of kernel development, which makes up the core of a Triangulated Lagrangian Ignition Kernel model. One (or multiple, if it restrikes) spark channel is initialized as a one-dimensional Lagrangian particle thread.

Heavy-duty vehicles, currently the second largest source of fuel consumption and carbon emissions are projected to be fastest growing mode in transportation sector in future. There is a clear need to increase fuel efficiency and lower emissions for these engines. The Opposed-Piston Engine (OP Engine) has the potential to address this growing need. In this paper, results are presented for a 9.8L three-cylinder two-stroke OP Engine that shows the potential of achieving 55% brake thermal efficiency (BTE), while simultaneously satisfying emission targets for tail pipe emissions. The two-stroke OP Engines are inherently more cost effective due to less engine parts. The OP Engine architecture presented in this paper can meet this performance without the use of waste heat recovery systems or turbo-compounding and hence is the most cost effective technology to deliver this level of fuel efficiency.

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.

Three time integration schemes and four finite volume interpolation schemes for the convection term in momentum equation were tested under turbulent planar gas jet and Sandia non-reacting vaporizing Spray-H cases. The three time integration schemes are the first-order Euler implicit scheme, the second-order backward scheme, and the second-order Crank-Nicolson scheme. The four spatial interpolation schemes are cubic central, linear central, upwind, and vanLeer schemes. Velocity magnitude contour, centerline and radial mean velocity and Reynolds stress profiles for the planar turbulent gas jet case, and fuel vapor contour and liquid and vapor penetrations for the Diesel spray case predicted by the different numerical schemes were compared. The sensitivity of the numerical schemes to mesh resolution was also investigated. The non-viscosity based dynamic structure subgrid model was used. The numerical tool used in this study was OpenFOAM.

In Equation 10, there should be a plus sign between the first summation term and the quantity in brackets. The acceleration of the participant's vehicle was varied from −0.04 m/s2 to +0.06 m/s2 linearly as a function of the angle of the gas pedal with a 0.1-second delay.

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 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.

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.

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.

The incorporation of detailed chemistry models in internal combustion engine simulations is becoming mandatory as local, globally lean, low-temperature combustion strategies are setting the path towards a more efficient and environmentally sustainable use of energy resources in transportation. In this paper, we assessed the computational efficiency of a recently developed sparse analytical Jacobian chemistry solver, namely ‘SpeedCHEM’, that features both direct and Krylov-subspace solution methods for maximum efficiency for both small and large mechanism sizes. The code was coupled with a high-dimensional clustering algorithm for grouping homogeneous reactors into clusters with similar states and reactivities, to speed-up the chemical kinetics solution in multi-dimensional combustion simulations.