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In the current work,the mechanism and kinetics behavior associated with pyrolysis of n-heptane were investigated using the reactive force field (ReaxFF) method.The analysis was from two aspects: reactions and products.The pyrolysis of hydrocarbon was mainly by the means of the unimolecular dissociation and the whole pyrolysis process was radical-dominated,the reaction type tended to changing from the saturated hydrocarbons to unsaturated hydrocarbons along with the decomposition of n-heptane.