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Advanced combustion concepts such as reactivity controlled compression ignition (RCCI) have been proven to be capable of fundamentally improve the conventional Diesel combustion by mitigating or avoiding the soot-NOx trade-off, while delivering comparable or better thermal efficiency. To further facilitate the development of the RCCI technology, a robust and possibly computationally efficient simulation framework is needed. While many successful studies have been published using 3D-CFD coupled with detailed combustion chemistry solvers, the maturity level of the 0D/1D based software solution offerings is relatively limited. The close interaction between physical and chemical processes challenges the development of predictive numerical tools, particularly when spatial information is not available.

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.

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.

Autoignition enhancing additives have been used for years to enhance the ignition quality of diesel fuel, with 2-ethylhexyl nitrate (EHN) being the most common additive. EHN also enhances the autoignition reactivity of gasoline, which has advantages for some low-temperature combustion techniques, such as Sandia’s Low-Temperature Gasoline Combustion (LTGC) with Additive-Mixing Fuel Injection (AMFI). LTGC-AMFI is a new high-efficiency and low-emissions engine combustion process based on supplying a small, variable amount of EHN into the fuel for better engine operation and control. However, the mechanism by which EHN interacts with the fuel remains unclear. In this work, a chemical-kinetic mechanism for EHN was developed and implemented in a detailed mechanism for gasoline fuels. The combined mechanism was validated against shock-tube experiments with EHN-doped n-heptane and HCCI engine data for EHN-doped regular E10 gasoline. Simulations showed a very good match with experiments.

A one-dimensional, non-equilibrium, compressible law of the wall model is proposed to increase the accuracy of heat transfer predictions from computational fluid dynamics (CFD) simulations of internal combustion engine flows on engineering grids. Our 1D model solves the transient turbulent Navier-Stokes equations for mass, momentum, energy and turbulence under the thin-layer assumption, using a finite-difference spatial scheme and a high-order implicit time integration method. A new algebraic eddy-viscosity closure, derived from the Han-Reitz equilibrium law of the wall, with enhanced Prandtl number sensitivity and compressibility effects, was developed for optimal performance. Several eddy viscosity sub-models were tested for turbulence closure, including the two-equation k-epsilon and k-omega, which gave insufficient performance.

A novel advanced combustion strategy that employs the kinetically controlled compression ignition of gasoline whose autoignition is sensitive to fuel concentration is termed Low Temperature Gasoline Combustion. The LTGC method can achieve high thermal efficiency with a commercially available fuel while generating ultra-low soot and NOx emissions relative to the conventional combustion modes. At high loads, a double direct injection (D-DI) strategy is used where the first injection generates a background premixed charge while a second compression stroke injection controls the level of fuel stratification on a cycle-to-cycle basis to manage the heat release rates. With lower loads, this combustion performance of this D-DI strategy decreases as the background charge becomes increasingly lean. Instead, a single direct injection (S-DI) is used at lower loads to maintain an adequate combustion efficiency.

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.

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.

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.

Φ-sensitivity is a fuel characteristic that has important benefits for the operation and control of low-temperature gasoline combustion (LTGC) engines. A fuel is φ-sensitive if its autoignition reactivity varies with the fuel/air equivalence ratio (φ). Thus, multiple-injection strategies can be used to create a φ-distribution that leads to several benefits. First, the φ-distribution causes a sequential autoignition that reduces the maximum heat release rate. This allows higher loads without knock and/or advanced combustion timing for higher efficiencies. Second, combustion phasing can be controlled by adjusting the fuel-injection strategy. Finally, experiments show that intermediate-temperature heat release (ITHR) increases with φ-sensitivity, increasing the allowable combustion retard and improving stability. A detailed mechanism was applied using CHEMKIN to understand the chemistry responsible for φ-sensitivity.

Low-temperature gasoline combustion engines can provide high efficiencies with very low NOx and particulate emissions, but rapid control of the combustion timing (50% burn point, CA50) remains a challenge. Partial Fuel Stratification (PFS) was recently demonstrated [2019-01-1156] to control CA50 over a wide range at some selected operating conditions using a regular-grade E10 gasoline. PFS was produced by a double direct injection (D-DI) strategy using a gasoline-type direct injector. For this D-DI-PFS strategy, the majority of the fuel is injected early in the intake stroke, establishing the minimum equivalence ratio in the charge, while the remainder of the fuel is supplied by a second injection at a variable time (SOI2) during the compression stroke to vary the amount of stratification. Adjusting the stratification changes the combustion timing, and this can be done on a cycle-to-cycle basis by adjusting SOI2.

Low-temperature gasoline combustion (LTGC) engines can provide high efficiencies and extremely low NOx and particulate emissions, but controlling the combustion timing remains a challenge. This paper explores the potential of Partial Fuel Stratification (PFS) to provide fast control of CA50 in an LTGC engine. Two different compression ratios are used (CR=16:1 and 14:1) that provide high efficiencies and are compatible with mixed-mode SI-LTGC engines. The fuel used is a research grade E10 gasoline (RON 92, MON 85) representative of a regular-grade market gasoline found in the United States. The fuel was supplied with a gasoline-type direct injector (GDI) mounted centrally in the cylinder. To create the PFS, the GDI injector was pulsed twice each engine cycle. First, an injection early in the intake stroke delivered the majority of the fuel (70 - 80%), establishing the minimum equivalence ratio in the charge.

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.

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.

ϕ-sensitivity is a fuel characteristic that has important benefits for the operation and control of low-temperature gasoline combustion (LTGC) engines. However, regular gasoline is not very ϕ-sensitive at low-pressure conditions, meaning that intake boosting (typically Pin ≥ 1.3 bar) is required to take advantage of this property. Thus, there is strong motivation to design a gasoline-like fuel that simultaneously improves ϕ-sensitivity, RON and octane sensitivity, to make an improved fuel suitable for both LTGC and modern SI engines. In a previous study [SAE 2019-01-0961], a 5-component regulation-compliant fuel blend (CB#1) was computationally designed; and simulations showed promising results when it was compared to a regular E10 gasoline (RD5-87). The current study experimentally evaluates CB#1 in the Sandia LTGC engine and compares the results with those of RD5-87. The RON and octane sensitivity were improved 1.3 and 3.6 units by CB#1, respectively.

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.

To comply with increasingly stringent pollutant emissions regulations, diesel engine operation in a catalyst-heating mode is critical to achieve rapid light-off of exhaust aftertreatment catalysts during the first minutes of cold starting. Current approaches to catalyst-heating operation typically involve one or more late post injections to retard combustion phasing and increase exhaust temperatures. The ability to retard post injection timing(s) while maintaining acceptable pollutant emissions levels is pivotal for improved catalyst-heating calibrations. Higher fuel cetane number has been reported to enable later post injections with increased exhaust heat and decreased pollutant emissions, but the mechanism is not well understood. The purpose of this experimental and numerical simulation study is to provide further insight into the ways in which fuel cetane number affects combustion and pollutant formation in a medium-duty diesel engine.

Methanol is one of the most promising fuels for the decarbonization of the off-road and transportation sectors. Although methanol is typically seen as an alternative fuel for spark ignition engines, mixing-controlled compression ignition (MCCI) combustion is typically preferred in most off-road and medium-and heavy-duty applications due to its high reliability, durability and high-efficiency. In this paper, the potential of using ignition enhancers to enable methanol MCCI combustion was investigated. Methanol was blended with 2-ethylhexyl nitrate (EHN) and experiments were performed in a single-cylinder production-like diesel research engine, which has a displacement volume of 0.83 L and compression ratio of 16:1. The effect of EHN has been evaluated with three different levels (3%vol, 5%vol, and 7%vol) under low- and part-load conditions. The injection timing has been swept to find the stable injection window for each EHN level and load.