In order to promote the in-depth development of simulation research of biofuel application , the development of the chemical reaction mechanism of biofuel combustion was explained, and application of Computational Fluid Dynamics Model in Combustion Simulation of Internal Combustion Engines were also explored. The technical idea of biofuel combustion mechanism construction and simplification was analyzed.The research progress of biofuel combustion simulation based on CFD combustion model was explored.By calling the biofuel combustion mechanism,Study on the combustion process and emission generation law of internal combustion engine was effective.The review showed that the chemical kinetics of biofuel combustion can be generated by the coupling and simplification of a typical single component combustion mechanism.By calling this synthesis mechanism，the combustion process analysis and emission generation analysis of biofuel.can be realized.Research showed that simulation research was an important technical approach to achieve biofuel application research.