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Premixed Charge Compression Ignition (PCCI), a Low Temperature Combustion (LTC) strategy for diesel engines is of increasing interest due to its potential to simultaneously reduce soot and NOx emissions. However, the influence of mixture preparation on combustion phasing and heat release rate in LTC is not fully understood. In the present study, the influence of injection timing on mixture preparation, combustion and emissions in PCCI mode is investigated by experimental and computational methods. A sequential coupling approach of 3D CFD with a Stochastic Reactor Model (SRM) is used to simulate the PCCI engine. The SRM accounts for detailed chemical kinetics, convective heat transfer and turbulent micro-mixing. In this integrated approach, the temperature-equivalence ratio statistics obtained using KIVA 3V are mapped onto the stochastic particle ensemble used in the SRM.

Since transient vehicle HVAC computational fluids (CFD) simulations take too long to solve in a production environment, the goal of this project is to automatically create a lumped-parameter flow network from a steady-state CFD that solves nearly instantaneously. The data mining algorithm k-means is implemented to automatically discover flow features and form the network (a reduced order model). The lumped-parameter network is implemented in the commercial thermal solver MuSES to then run as a fully transient simulation. Using this network a “localized heat transfer coefficient” is shown to be an improvement over existing techniques. Also, it was found that the use of the clustering created a new flow visualization technique. Finally, fixing clusters near equipment newly demonstrates a capability to track localized temperatures near specific objects (such as equipment in vehicles).

This paper implements a coupled approach to integrate the internal nozzle flow and the ensuing fuel spray using a Volume-of-Fluid (VOF) method in the CONVERGE CFD software. A VOF method was used to model the internal nozzle two-phase flow with a cavitation description closed by the homogeneous relaxation model of Bilicki and Kestin [1]. An Eulerian single velocity field approach by Vallet et al. [2] was implemented for near-nozzle spray modeling. This Eulerian approach considers the liquid and gas phases as a complex mixture with a highly variable density to describe near nozzle dense sprays. The mean density is obtained from the Favreaveraged liquid mass fraction. The liquid mass fraction is transported with a model for the turbulent liquid diffusion flux into the gas.

Shock waves have been recently observed in high-pressure diesel sprays. In this paper, three-dimensional numerical simulations of supersonic diesel spray injection have been performed to investigate the underlying dynamics of the induced shock waves and their interactions with the spray. A Volume-of-Fluid based method in the CFD software (CONVERGE) is used to model this multiphase phenomena. An adaptive Mesh Refinement (AMR) scheme is employed to capture the front of the spray and the shock waves with high fidelity. Simulation results are compared to the available experimental observations to validate the numerical procedure. Parametric studies with different injection and ambient conditions are conducted to examine the effect of these factors on the generation of shock waves and their dynamics.

Although soot-formation processes in diesel engines have been well characterized during the mixing-controlled burn, little is known about the distribution of soot throughout the combustion chamber after the end of appreciable heat release during the expansion and exhaust strokes. Hence, the laser-induced incandescence (LII) diagnostic was developed to visualize the distribution of soot within an optically accessible single-cylinder direct-injection diesel engine during this period. The developed LII diagnostic is semi-quantitative; i.e., if certain conditions (listed in the Appendix) are true, it accurately captures spatial and temporal trends in the in-cylinder soot field. The diagnostic features a vertically oriented and vertically propagating laser sheet that can be translated across the combustion chamber, where “vertical” refers to a direction parallel to the axis of the cylinder bore.

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty compression-ignition engine with a gasoline-like fuel that has an anti-knock index (AKI) of 58. The primary goal was to design an optimized combustion system utilizing the high volatility and low sooting tendency of the fuel for improved fuel efficiency with minimal hardware modifications to the engine. The CFD model predictions were first validated against experimental results generated using the stock engine hardware. A comprehensive design of experiments (DoE) study was performed at different operating conditions on a world-leading supercomputer, MIRA at Argonne National Laboratory, to accelerate the development of an optimized fuel-efficiency focused design while maintaining the engine-out NOx and soot emissions levels of the baseline production engine.

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC).

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.

Fundamental understanding of the sources of fuel-derived Unburned Hydrocarbon (UHC) emissions in heavy duty diesel engines is a key piece of knowledge that impacts engine combustion system development. Current emissions regulations for hydrocarbons can be difficult to meet in-cylinder and thus after treatment technologies such as oxidation catalysts are typically used, which can be costly. In this work, Computational Fluid Dynamics (CFD) simulations are combined with engine experiments in an effort to build an understanding of hydrocarbon sources. In the experiments, the combustion system design was varied through injector style, injector rate shape, combustion chamber geometry, and calibration, to study the impact on UHC emissions from mixing-controlled diesel combustion.

In order to extend the operability limit of the gasoline compression ignition (GCI) engine, as an avenue for low temperature combustion (LTC) regime, the effects of parametric variations of engine operating conditions on the performance of six-stroke GCI (6S-GCI) engine cycle are numerically investigated, using an in-house 3D CFD code coupled with high-fidelity physical sub-models along with the Chemkin library. The combustion and emissions were calculated using a skeletal chemical kinetics mechanism for a 14-component gasoline surrogate fuel. Authors’ previous study highlighted the effects of the variation of injection timing and split ratio on the overall performance of 6S-GCI engine and the unique mixing-controlled burning mode of the charge mixtures during the two additional strokes. As a continuing effort, the present study details the parametric studies of initial gas temperature, boost pressure, fuel injection pressure, compression ratio, and EGR ratio.

Increasing regulatory demand for efficiency has led to development of novel combustion modes such as HCCI, GCI and RCCI for gasoline light duty engines. In order to realize HCCI as a compression ignition combustion mode system, in-cylinder compression temperatures must be elevated to reach the autoignition point of the premixed fuel/air mixture. This should be co-optimized with appropriate fuel formulations that can autoignite at such temperatures. CFD combustion modeling is used to model the auto ignition of gasoline fuel under compression ignition conditions. Using the fully detailed fuel mechanism consisting of thousands of components in the CFD simulations is computationally expensive. To overcome this challenge, the real fuel is represented by few major components of create a surrogate fuel mechanism. In this study, 9 variations of gasoline fuel sets were chosen as candidates to run in HCCI combustion mode.

Gasoline compression ignition (GCI) technology shows the potential to obtain high thermal efficiencies while maintaining low soot and NOx emissions in light-duty engine applications. Recent experimental studies and numerical simulations have indicated that high reactivity gasoline-like fuels can further enable the benefits of GCI combustion. However, there is limited empirical data in the literature studying the gasoline compression ignition process at relevant in-cylinder conditions, which are required for further optimizing combustion system designs. This study investigates the temporal and spatial evolution of the compression ignition process of various high reactivity gasoline fuels with research octane numbers (RON) of 71, 74 and 82, as well as a conventional RON 97 E10 gasoline fuel. A ten-hole prototype gasoline injector specifically designed for GCI applications capable of injection pressures up to 450 bar was used.

The Reynolds stress turbulence model (RSM) has been developed to go beyond the Boussinesq hypothesis and to improve turbulence modeling of flows with significant mean streamline curvature and secondary flow. In this paper the RSM in commercial CFD software CONVERGE is tested for its performance and robustness when applying to complex flows. Several validation cases including flow over flat plate, vortex combustor, diesel engine spray and combustion were selected to test the RSM. The swirling flow in vortex combustor, non-reacting but vaporizing ECN Spray A (free jet) and Sandia small bore diesel engine case are used to demonstrate the benefits of the RSM over the widely used RNG k-epsilon model without model tuning. The vortex combustor case shows the RSM can provide good prediction for strong swirling flow. ECN spray A case was used to demonstrate that the RSM can accurately predict the liquid and vapor penetration lengths of a free jet under diesel engine conditions.

Single-cylinder engine experiments and computational fluid dynamics (CFD) modeling were used in this study to conduct a comprehensive evaluation of the accuracy of the modeling approach, with a focus on soot emissions. A semi-empirical soot model, the classic two-step Hiroyasu model with Nagle and Strickland-Constable oxidation, was used. A broad range of direct-injected (DI) combustion systems were investigated to assess the predictive accuracy of the soot model as a design tool for modern DI diesel engines. Experiments were conducted on a 2.5 liter single-cylinder engine. Combustion system combinations included three unique piston bowl shapes and seven variants of a common rail fuel injector. The pistons included a baseline “Mexican hat” piston, a reentrant piston, and a non-axisymmetric piston similar to the Volvo WAVE design. The injectors featured six or seven holes and systematically varied included angles from 120 to 150 degrees and hole sizes from 170 to 273 μm.

Fuels in the gasoline auto-ignition range (Research Octane Number (RON) > 60) have been demonstrated to be effective alternatives to diesel fuel in compression ignition engines. Such fuels allow more time for mixing with oxygen before combustion starts, owing to longer ignition delay. Moreover, by controlling fuel injection timing, it can be ensured that the in-cylinder mixture is “premixed enough” before combustion occurs to prevent soot formation while remaining “sufficiently inhomogeneous” in order to avoid excessive heat release rates. Gasoline compression ignition (GCI) has the potential to offer diesel-like efficiency at a lower cost and can be achieved with fuels such as low-octane straight run gasoline which require significantly less processing in the refinery compared to today’s fuels.

Combustion systems with advanced injection strategies have been extensively studied, but there still exists a significant fundamental knowledge gap on fuel spray interactions with the piston surface and chamber walls. This paper is meant to provide detailed data on spray-wall impingement physics and support the spray-wall model development. The experimental work of spray-wall impingement with non-vaporizing spray characterization, was carried out in a high pressure-temperature constant-volume combustion vessel. The simultaneous Mie scattering of liquid spray and schlieren of liquid and vapor spray were carried out. Diesel fuel was injected at a pressure of 1500 bar into ambient gas at a density of 22.8 kg/m3 with isothermal conditions (fuel, ambient, and plate temperatures of 423 K). A Lagrangian-Eulerian modeling approach was employed to characterize the spray-gas and spray-wall interactions in the CONVERGETM framework by means of a Reynolds-Averaged Navier-Stokes (RANS) formulation.

High-efficiency, clean-combustion strategies for heavy-duty diesel engines are critical for meeting stringent emissions regulations and reducing the costs of aftertreatment systems that are currently required to meet these regulations. Results from previous constant-volume combustion-vessel experiments using a single jet of fuel under quiescent conditions have shown that mixing-controlled soot-free combustion (i.e., combustion where soot is not produced) is possible with #2 diesel fuel. These experiments employed small injector-orifice diameters (≺ 150 μm) and high fuel-injection pressures (≻ 200 MPa) at top-dead-center (TDC) temperatures and densities that could be achievable in modern heavy-duty diesel engines.

The internal structure of Diesel fuel injectors is known to have a significant impact on the nozzle flow and the resulting spray emerging from each hole. In this paper the three-dimensional transient flow structures inside a Diesel injector is studied under nominal (in-axis) and realistic (including off-axis lateral motion) operating conditions of the needle. Numerical simulations are performed in the commercial CFD code CONVERGE, using a two-phase flow representation based on a mixture model with Volume of Fluid (VOF) method. Moving boundaries are easily handled in the code, which uses a cut-cell Cartesian method for grid generation at run time. First, a grid sensitivity study has been performed and mesh requirements are discussed. Then the results of moving needle calculations are discussed. Realistic radial perturbations (wobbles) of the needle motion have been applied to analyze their impact on the nozzle flow characteristics.

A 2-D CFD model was developed to describe the heat transfer, and reaction kinetics in a honeycomb structured ceramic diesel particulate trap. This model describes the steady state as well as the transient behavior of the flow and heat transfer during the trap regeneration processes. The trap temperature profile was determined by numerically solving the 2-D unsteady energy equation including the convective, heat conduction and viscous dissipation terms. The convective terms were based on a 2-D analytical flow field solution derived from the conservation of mass and momentum equations (Opris, 1997). The reaction kinetics were described using a discretized first order Arrhenius function. The 2-D term describing the reaction kinetics and particulate matter conservation of mass was added to the energy equation as a source term in order to represent the particulate matter oxidation. The filtration model describes the particulate matter accumulation in the trap.

Computational fluid dynamic (CFD) simulations that include realistic combustion/emissions chemistry hold the promise of significantly shortening the development time for advanced high-efficiency, low-emission engines. However, significant challenges must be overcome to realize this potential. This paper discusses these challenges in the context of diesel combustion and outlines a technical program based on the use of surrogate fuels that sufficiently emulate the chemical complexity inherent in conventional diesel fuel.