Development of a Highly Reduced Mechanism for Iso-Octane HCCI Combustion With Targeted Search Algorithm

Abstract

This paper describes recent development of iso-octane skeletal and reduced mechanisms for speeding up numerical simulations of homogeneous charge compression ignition (HCCI) engines. A novel targeted search algorithm is developed to systematically screen species for quasisteady state (QSS) assumption in order to reduce the mechanism size while maintaining accuracy. This new approach is especially found useful when the chemical kinetics involve complex ignition pathways. Using the iso-octane mechanism developed by LLNL, a skeletal mechanism with 215 species (Skeletal-215) and a reduced mechanism with 63 non-QSS species (Reduced-63) were constructed. Evaluations of the performances of the Skeletal-215 and the Reduced-63 were extensively conducted for the operation regimes in HCCI engine applications. Both mechanisms are found satisfactory in predicting start of combustion and minor emission species.