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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.

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.