Numerical simulation on chemical reaction kinetics of ethanol HCCI combustion

The numerical simulation was performed on the homogeneous charge compression ignition(HCCI) combustion of ethanol by means of the 0-D single zone model coupled with the modified detailed chemical kinetics mechanism of ethanol oxidation reaction.The main consuming paths of ethanol oxidation as well as the key intermediate products and the important elementary reactions in the ethanol combustion reactions were sorted.The results show that the reaction path C2H5OH+OH→products is a dominant path over all key ethanol consuming paths,and the ethanol oxidation reaction R145:C2H5OH+OH=CH3CH2O+H2O is the most important elementary reaction and the reaction R144:C2H5OH+OH=CH3CHOH+H2O is the second important in all important elementary reactions.The unimolecular decomposition and dehydrogenation of ethanol initiate the branched chain reaction,and the 3 isomers of radical C2H5O determine the direction of the reaction chain branching.