HCCI (Homogeneous Charge Compression Ignition) engine is expected to a new engine to be high efficiency and low emission. But it is difficult to control ignition timing and combustion duration, because ignition and combustion mainly depend on oxidation process of fuel. In this study, the focus is to clear the combustion mechanism of auto-ignition engine. By calculating chemical kinetics of elementary reactions, effects of compression speed, equivalence ratio, initial temperature and compression ratio on auto-ignition were investigated. And also, behaviors of chemical species under auto-ignition process were cleared.