Reduced Reaction Mechanisms for Ethanol under Ultra-lean Conditions in Internal Combustion Engines.

Chemical kinetics models for ethanol under ultra-lean engine conditions were evaluated to couple with CFD multidimensional simulations of a spark-assisted homogeneous charge compression ignition (HCCI) rotary engine. Five reduced reaction sets proper for CFD simulations and two detailed reaction mechanisms for comparison were tested by simulating ignition delay times, laminar flame speeds, and a single-cycle HCCI engine with virtual piston dimensions. The simulated results of the new mechanism with 188 reactions were well-fitted to both experimental ignition delay times for ultra-lean ethanol/air conditions and laminar flame speeds at high pressures. This reaction set resulted in better-simulated ignition delay times at 30 and 40 bar for ultra-lean ethanol/air conditions than other chemical kinetics models. Maximum temperatures and pressures of 2500-2580 K and 280-289 bar, respectively, were observed for hydrous ethanol/air under ultra-lean conditions in HCCI engine. In addition, the simulation results of the HCCI ethanol engine presented high pressure rise rates of 8-26 bar/CAD at 3600 rpm. These results indicated that the engine test should be carried out at 2500 rpm with 2 bar of boost pressure for CFD model calibration with the new optimized reaction mechanism.