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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.

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.

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.

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.

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.

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.

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.

Measurements of ignition behavior, homogeneous reactor simulations employing detailed kinetics, and quantitative in-cylinder imaging of fuel-air distributions are used to delineate the impact of temperature, dilution, pilot injection mass, and injection pressure on the pilot ignition process. For dilute, low-temperature conditions characterized by a lengthy ignition delay, pilot ignition is impeded by the formation of excessively lean mixture. Under these conditions, smaller pilot mass or higher injection pressures further lengthen the pilot ignition delay. Similarly, excessively rich mixtures formed under relatively short ignition delay conditions typical of conventional diesel combustion will also prolong the ignition delay. In this latter case, smaller pilot mass or higher injection pressures will shorten the ignition delay. The minimum charge temperature required to effect a robust pilot ignition event is strongly dependent on charge O2 concentration.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

The performance of Partially Premixed Compression Ignition (PPCI) combustion relies heavily on the proper mixing between the injected fuel and the in-cylinder gas mixture. In fact, the mixture distribution has direct control over the engine-out emissions as well as the rate of heat release during combustion. The current study focuses on investigating the pre-combustion equivalence ratio distribution in a light-duty diesel engine operating at a low-load (3 bar IMEP), highly dilute (10% O₂), slightly boosted (P ⁿ = 1.5 bar) PPCI condition. A tracer-based planar laser-induced fluorescence (PLIF) technique was used to acquire two-dimensional equivalence ratio measurements in an optically accessible diesel engine that has a production-like combustion chamber geometry including a re-entrant piston bowl.

In a recent experimental study the in-cylinder spatial distribution of mixture equivalence ratio was quantified under non-combusting conditions by planar laser-induced fluorescence (PLIF) of a fuel tracer (toluene). The measurements were made in a single-cylinder, direct-injection, light-duty diesel engine at conditions matched to an early-injection low-temperature combustion mode. A fuel amount corresponding to a low load (3.0 bar indicated mean effective pressure) operating condition was introduced with a single injection at -23.6° ATDC. The data were acquired during the mixture preparation period from near the start of injection (-22.5° ATDC) until the crank angle where the start of high-temperature heat release normally occurs (-5° ATDC). In the present study the measured in-cylinder images are compared with a fully resolved three-dimensional CFD model, namely KIVA3V-RANS simulations.

The spatial distribution of the mixture equivalence ratio within the squish volume is quantified under non-combusting conditions by planar laser-induced fluorescence (PLIF) of a fuel tracer (toluene). The measurements were made in a single-cylinder, direct-injection, light-duty diesel engine at conditions matched to an early-injection low temperature combustion mode. A fuel amount corresponding to a low load (3.0 bar indicated mean effective pressure) operating condition was introduced with a single injection. Data were acquired during the mixture preparation period from near the start of injection (-22.5° aTDC) until the crank angle where the start of high-temperature heat release normally occurs (-5° aTDC). Despite the opposing squish flow, the fuel jets penetrate through the squish region to the cylinder bore. Although rapid mixing is observed in the head of each jet, rich regions remain at the head at the start of high-temperature heat release.

The simulation of combustion chemistry in internal combustion engines is challenging due to the need to include detailed reaction mechanisms to describe the engine physics. Computational times needed for coupling full chemistry to CFD simulations are still too computationally demanding, even when distributed computer systems are exploited. For these reasons the present paper proposes a time scale separation approach for the integration of the chemistry differential equations and applies it in an engine CFD code. The time scale separation is achieved through the estimation of a characteristic time for each of the species and the introduction of a sampling timestep, wherein the chemistry is subcycled during the overall integration. This allows explicit integration of the system to be carried out, and the step size is governed by tolerance requirements.

Particle image velocimetry (PIV) is used to investigate the structure and evolution of the mean velocity field in the swirl (r-θ) plane of a motored, optically accessible diesel engine with a typical production combustion chamber geometry under motoring conditions (no fuel injection). Instantaneous velocities were measured were made at three swirl-plane heights (3 mm, 10 mm and 18 mm below the firedeck) and three swirl ratios (2.2, 3.5 and 4.5) over a range of crank angles in the compression and expansion strokes. The data allow for a direct analysis of the structures within the ensemble mean flow field, the in-cylinder swirl ratio, and the radial profile of the tangential velocity. At all three swirl ratios, the ensemble mean velocity field contains a single dominant swirl flow structure that is tilted with respect to the cylinder axis. The axis of this structure precesses about the cylinder axis in a manner that is largely insensitive to swirl ratio.

RNG k-ε closure turbulence dissipation equations are evaluated employing the CFD code KIVA-3V Release 2. The numerical evaluations start by considering simple jet flows, including incompressible air jets and compressible helium jets. The results show that the RNG closure turbulence model predicts lower jet tip penetration than the "standard" k-ε model, as well as being lower than experimental data. The reason is found to be that the turbulence kinetic energy is dissipated too slowly in the downstream region near the jet nozzle exit. In this case, the over-predicted R term in RNG model becomes a sink of dissipation in the ε-equation. As a second step, the RNG turbulence closure dissipation models are further tested in complex engine flows to compare against the measured evolution of turbulence kinetic energy, and an estimate of its dissipation rate, during both the compression and expansion processes.

The soot distribution as function of ambient O₂ mole fraction in a heavy-duty diesel engine was investigated at low load (6 bar IMEP) with laser-induced incandescence (LII) and natural luminosity. A Multi-YAG laser system was utilized to create time-resolved LII using 8 laser pulses with a spacing of one CAD with detection on an 8-chip framing camera. It is well known that the engine-out smoke level increases with decreasing oxygen fraction up to a certain level where it starts to decrease again. For the studied case the peak occurred at an O₂ fraction of 11.4%. When the oxygen fraction was decreased successively from 21% to 9%, the initial soot formation moved downstream in the jet. At the lower oxygen fractions, below 12%, no soot was formed until after the wall interaction. At oxygen fractions below 11% the first evidence of soot is in the recirculation zone between two adjacent jets.