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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.

Butanol, which is a renewable biofuel, has been regarded as a promising alternative fuel for internal combustion engines. When blended with diesel and applied to pilot ignited natural gas engines, butanol has the capability to achieve lower emissions without sacrifice on thermal efficiency. However, high blend ratio of butanol is limited by its longer ignition delay caused by the higher latent heat and higher octane number, which restricts the improvement of emission characteristics. In this paper, the potential of increasing butanol blend ratio by adding hot exhaust gas recirculation (EGR) is investigated. 3D CFD model based on a detailed kinetic mechanism was built and validated by experimental results of natural gas engine ignited by diesel/butanol blends. The effects of hot EGR is then revealed by the simulation results of the combustion process, heat release traces and also the emissions under different diesel/butanol blend ratios.

With the development of advanced ABE fermentation technology, the volumetric percentage of acetone, butanol and ethanol in the bio-solvents can be precisely controlled. To seek for an optimized volumetric ratio for ABE-diesel blends, the previous work in our team has experimentally investigated and analyzed the combustion features of ABE-diesel blends with different volumetric ratio (A: B: E: 6:3:1; 3:6:1; 0:10:0, vol. %) in a constant volume chamber. It was found that an increased amount of acetone would lead to a significant advancement of combustion phasing whereas butanol would compensate the advancing effect. Both spray dynamic and chemistry reaction dynamic are of great importance in explaining the unique combustion characteristic of ABE-diesel blend. In this study, a semi-detailed chemical mechanism is constructed and used to model ABE-diesel spray combustion in a constant volume chamber.

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.

A new approach of NOx reduction in the compression-ignition engine is introduced in this work. The previous research has shown that during the combustion stage, the high temperature ignition tends to occur early at the near-stoichiometric region where the combustion temperature is high and majority of NOx is formed; Therefore, it is desirable to burn the leaner region first and then the near-stoichiometric region, which inhibits the temperature rise of the near-stoichiometric region and consequently suppresses the formation of NOx. Such inverted ignition sequence requires mixture with inverted phi-sensitivity. Fuel selection is performed based on the criteria of strong ignition T-sensitivity, negligible negative temperature coefficient (NTC) behavior, and large heat of vaporization (HoV).

This work presents a comprehensive computational study of diesel - natural gas (NG) dual fuel engine. A complete computational model is developed for the operation of a diesel - NG dual fuel engine modified from an AVL 5402 single cylinder diesel test engine. The model is based on the KIVA-3V program and includes customized sub-models. The model is validated against test cell measurements of both pure diesel and dual fuel operation. The effects of NG on ignition and combustion in dual fuel operation are analyzed in detail. Zero-dimensional computations with a diesel surrogate reaction mechanism are conducted to discover the effects of NG on ignition and combustion and to reveal the fundamental chemical mechanisms behind such effects. Backed by the detailed theoretical analysis, the engine operation parameters are optimized with genetic algorithm (GA) for the dual fuel operation of the modified AVL 5402 test engine.

The numerical models presented in this study are established based on discrete phase model (DPM) of spray dispersion and evaporation considering the cold wall operating condition of port injection system. All the models were implemented into the CFD software FLUENT. Gas flow and film flow and spray are coupled by mass, momentum and energy transfer due to spray impingement, film evaporation and surface shear stress. Influences of impact parameters including injection height, injection duration and injection angle on the formation and evaporation of wall-film are discussed. The results show that, with the increase of injection height, the maximum film thickness and wall film ratio decrease, and fuel vapor mass ratio increases. The reductions of film thickness and wall film ratio are not obvious as the increasing of injection height. Extending the injection duration could add the maximum film thickness and film area.