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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.

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 new Computational Fluid Dynamics (CFD) code has been developed in order to overcome the deficiencies of traditional grid generation and mesh motion methods. The new code uses a modified cut-cell Cartesian technique that eliminates the need for the computational grid to coincide with the geometry of interest. The code also includes state-of-the-art numerical techniques and sub-models for simulating the complex physical and chemical processes that occur in engines. Features such as shared and distributed memory parallelization, a multigrid pressure solver and user-specified grid embedding allow for efficient simulations while maintaining the grid resolution necessary for accurate engine modeling. In addition, a new Adaptive Grid Embedding (AGE) technique has been developed and implemented. Sub-models for turbulence, spray injection, spray breakup, liquid drop dynamics, ignition, combustion and emissions are also included in the code.

Recent measurements by Siebers et al. have shown that the flame of a high pressure Diesel spray stabilizes under quiescent conditions at a location downstream of the fuel injector. The effects of various ambient and injection parameters on the flame “lift-off” length have been investigated under typical Diesel conditions in a constant-volume combustion vessel. In the present study, the experiments of Siebers et al. have been modeled using a modified version of the KIVA-3V engine simulation code. Fuel injection and spray breakup are modeled using the KH-RT model that accounts for liquid surface instabilities due to the Kelvin-Helmholtz and Rayleigh-Taylor mechanisms. Combustion is simulated using Convergent Thinking's recently developed detailed transient chemistry solver (SAGE) that allows for any number of chemical species and reactions to be modeled.

The 3-Zones Extended Coherent Flame Model (ECFM3Z) and the Tabulated Kinetics for Ignition (TKI) auto-ignition model are widely used for RANS simulations of reactive flows in Diesel engines. ECFM3Z accounts for the turbulent mixing between one zone that contains compressed air and EGR and another zone that contains evaporated fuel. These zones mix to form a reactive zone where combustion occurs. In this mixing zone TKI is applied to predict the auto-ignition event, including the ignition delay time and the heat release rate. Because it is tabulated, TKI can model complex fuels over a wide range of engine thermodynamic conditions. However, the ECFM3Z/TKI combustion modeling approach requires an efficient predictive spray injection calculation. In a Diesel direct injection engine, the turbulent mixing and spray atomization are mainly driven by the liquid/gas coupling phenomenon that occurs at moving liquid/gas interfaces.

Using gasoline and diesel simultaneously in a dual-fuel combustion system has shown effective benefits in terms of both brake thermal efficiency and exhaust emissions. In this study, the dual-fuel approach is applied to a light-duty spark ignition (SI) gasoline direct injection (GDI) engine. Three combustion modes are proposed based on the engine load, diesel micro-pilot (DMP) combustion at high load, SI combustion at low load, and diesel assisted spark-ignition (DASI) combustion in the transition zone. Major focus is put on the DMP mode, where the diesel fuel acts as an enhancer for ignition and combustion of the mixture of gasoline, air, and recirculated exhaust gas. Computational fluid dynamics (CFD) is used to simulate the dual-fuel combustion with the final goal of supporting the comprehensive optimization of the main engine parameters.

A, three-dimensional CFD code, based on the KIVA code, is used to explore alternatives to conventional DI diesel engine designs for reducing NOx and soot emissions without sacrificing engine performance. The effects of combustion chamber design and fuel spray orientation are investigated using a new proposed GAMMA engine concept, and two new multiple injector combustion system (MICS) designs which utilize multiple injectors to increase gas motion and enhance fuel/air mixing in the combustion chamber. From these computational studies, it is found that both soot and nitrous oxide emissions can be significantly reduced without the need for more conventional emission control strategies such as EGR or ultra high injection pressure. The results suggest that CFD models can be a useful tool not only for understanding combustion and emissions production, but also for investigating new design concepts.

A computational optimization study is performed for a heavy-duty direct-injection diesel engine using the recently developed KIVA-GA computer code. KIVA-GA performs full cycle engine simulations within the framework of a Genetic Algorithm (GA) global optimization code. Design fitness is determined using a one-dimensional gas -dynamics code for calculation of the gas exchange process, and a three-dimensional CFD code based on KIVA-3V for spray, combustion and emissions formation. The performance of the present Genetic Algorithm is demonstrated using a test problem with a multi-modal analytic function in which the optimum is known a priori. The KIVA-GA methodology is next used to simultaneously investigate the effects of six engine input parameters on emissions and performance for a high speed, medium load operating point for which baseline experimental validation data is available.

Combustion is governed by only two phenomena: chemical reactions and mixing (i.e., transport of energy, species, and momentum). A Reynolds Averaged Navier-Stokes (RANS) turbulence model is commonly employed to account for the enhanced mixing due to the presence of turbulence in fluid flow. A RANS turbulence model enhances mixing by introducing a turbulent viscosity. The addition of a turbulent viscosity not only enhances mixing but it also eliminates smaller scales in the CFD simulation. Even though the turbulent viscosity eliminates smaller scales, it is common for RANS engine combustion simulations to be under-resolved. The lack of sufficient mesh resolution to resolve the remaining scales in a RANS combustion simulation may result in a significant sub-grid term that needs to be modeled. In the context of combustion simulation, it is shown that frequently this sub-grid term is significantly more important than Turbulent Chemistry Interaction terms (TCI).