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The modeling of fuel jet atomization is key in the characterization of Internal Combustion (IC) engines, and 3D Computational Fluid Dynamics (CFD) is a recognized tool to provide insights for design and control purposes. Multi-hole injectors with counter-bored nozzle are the standard for Gasoline Direct Injection (GDI) applications and the Spray-G injector from the Engine Combustion Network (ECN) is considered the reference for numerical studies, thanks to the availability of extensive experimental data. In this work, the behavior of the Spray-G injector is simulated in a constant volume chamber, ranging from sub-cooled (nominal G) to flashing conditions (G2), validating the models on Diffused Back Illumination and Phase Doppler Anemometry data collected in vaporizing inert conditions.

The motivation of the present work was to understand the mechanism by which alcohols produce less aromatic species in their combustion process than an equal amount of hydrocarbon with similar molecular structure does. Due to its numerous advantages over short-chain alcohols, butanol has been considered very promising in soot reduction. Excluding the influence of spray, vaporization and mixing process in engine cases, an adiabatic constant-pressure reactor model was applied to investigate the effect of butanol additives on aromatic species, which are known to be soot precursors, in fuel-rich butane flames. To keep the carbon flux constant, 5% and 10% oxygen by mass of the fuel were added to butane using butanol additive, respectively. Based on the soot reduction effects proposed in literature, effects on temperature, key radical concentrations and the carbon removal from the pathway to aromatic species were considered to identify the major mechanism of reduction in aromatic species.

Ignition location is one of the important factors that affect the thermal efficiency, exhaust emissions and knock sensitivity in premixed-charge ignition engines. However, the ignition initiation locations of pre-chamber generated turbulent jet ignition, which is a promising ignition enhancement method, are not clearly understood due to the complex physics behind it. Motivated by this, the ignition initiation location of a transient turbulent jet in a constant volume combustor is analyzed by the use of computational fluid dynamics (CFD) simulations. In the CFD simulations of this work, commercial codes KIVA-3 V release 2 and an in-house-developed chemical solver with a detailed mechanism for H2/air mixtures are used. Comparisons are performed between simulated and experimental ignition initiation locations, and they agree well with one another. A detailed parametric study of the influence of in-cylinder temperature on the ignition initiation location is also performed.

Cavitation plays a significant role in the spray characteristics and the subsequent mixing and combustion process in engines. Cavitation has beneficial effects on the development of the fuel sprays by improving injection velocity and promoting primary break-up. On the other hand, intense pressure peaks induced by the vapor collapse may lead to erosion damage and severe degradation of the injector performance. In the present paper, the transient cavitating flow in the injector-like geometry was investigated using the modified turbulence model and cavitation criterion. A local density correction was used in the Reynolds-averaged Navier-Stokes turbulence model to reduce the turbulent viscosity, which facilitates the cavitation development. The turbulent stress was also considered in the cavitation inception stage. The modified model is capable of reproducing the cavitating flow with an affordable computational cost.

In the present study, we developed a reduced chemical reaction mechanism consisted of n-heptane and toluene as surrogate fuel species for diesel engine combustion simulation. The LLNL detailed chemical kinetic mechanism for n-heptane was chosen as the base mechanism. A multi-technique reduction methodology was applied, which included directed relation graph with error propagation and sensitivity analysis (DRGEPSA), non-essential reaction elimination, reaction pathway analysis, sensitivity analysis, and reaction rate adjustment. In a similar fashion, a reduced toluene mechanism was also developed. The reduced n-heptane and toluene mechanisms were then combined to form a diesel surrogate mechanism, which consisted of 158 species and 468 reactions. Extensive validations were conducted for the present mechanism with experimental ignition delay in shock tubes and laminar flame speeds under various pressures, temperatures and equivalence ratios related to engine conditions.

A multi-step acetone-butanol-ethanol (ABE) phenomenological soot model was proposed and implemented into KIVA-3V Release 2 code. Experiments were conducted in an optical constant volume combustion chamber to investigate the combustion and soot emission characteristics under the conditions of 1000 K initial temperature with various oxygen concentrations (21%, 16%, 11%). Multi-dimensional computational fluid dynamics (CFD) simulations were conducted in conjunction under the same operation conditions. The predicted soot mass traces showed good agreement with experimental data. As ambient oxygen decreased from 21% to 11%, ignition delay retarded and the distribution of temperature became more homogenous. Compared to 21% ambient oxygen, the peak value of total soot mass at 16% oxygen concentration was higher due to the suppressed soot oxidation mechanism.