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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.

To face the challenges of fossil fuel shortage and air pollution problems, there is growing interest in the potential usage of alternative fuels such as bio-ethanol and bio-butanol in internal combustion engines. The literature shows that the acetone in the Acetone-Butanol-Ethanol (ABE) blends plays an important part in improving the combustion performance and emissions, owing to its higher volatility. In order to study the effects of acetone addition into commercial gasoline, this study focuses on the differences in combustion, performance and emission characteristics of a port-injection spark-ignition engine fueled with pure gasoline (G100), ethanol-containing gasoline (E30) and acetone-ethanol-gasoline blends (AE30 at A:E volumetric ratio of 3:1). The tests were conducted at 1200RPM with the default calibration (for gasoline), at 3 bar and 5 bar BMEP under various equivalence ratios.

Recent research has shown that butanol, instead of ethanol, has the potential of introducing a more suitable blend in diesel engines. This is because butanol has properties similar to current transportation fuels in comparison to ethanol. However, the main downside is the high cost of the butanol production process. Acetone-butanol-ethanol (ABE) is an intermediate product of the fermentation process of butanol production. By eliminating the separation and purification processes, using ABE directly in diesel blends has the potential of greatly decreasing the overall cost for fuel production. This could lead to a vast commercial use of ABE-diesel blends on the market. Much research has been done in the past five years concerning spray and combustion processes of both neat ABE and ABE-diesel mixtures. Additionally, different compositions of ABE mixtures had been characterized with a similar experimental approach.

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.

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.