Computational study of the reaction mechanism and kinetics of ethyl acrylate ozonolysis in atmosphere

► The detailed reaction mechanism of EA with O3 are proposed for the first time. ► Reaction mechanism and rate constants are investigated by theoretical calculation method. ► The results show that ethyl glyoxylate and formaldehyde are the major products of the reaction. ► The rate constant is 1.37 × 10−18 cm3 molecule−1 s−1 at 294 K and the lifetime of EA is determined.