The mechanism and kinetic model on the OH-initiated degradation of acetofenate in the atmosphere

As an analog of DDT, acetofenate (AF), one of the organochlorine pesticides, is widely used in agricultural and mosquito sprayings. In this paper, the main reaction mechanism of AF with the OH radical and ensuing reactions are researched, including the OH-initiated reaction, oxidation reaction in the presence of O2, bimolecular reaction of AF–OH–O2 with NO/H2O, bond cleavage of aromatic ring and C7–O bond, and dehydrogenation. Among all the reaction pathways, the main products are obtained via C2–C7/C7–O bond cleavage, C3–C4/C4–C5 bond cleavage of aromatic ring, and the generation of ketene and aldehyde. The kinetic model is constructed based on the rate constants of element reactions over a temperature range of 200–600 K, which are calculated with the transition state theory method and fitted with the Arrhenius formulas. According to the kinetic model, the atmospheric lifetime of AF, is 37 days, compared to OH radical.