Kinetic, Mechanistic, and Modeling Study of the OH-Radical-Initiated Oxidation of Di-n-butoxymethane (DNBM)

FTIR product studies of the OH-radical-initiated oxidation of di-n-butoxymethane (DNBM) in the presence of NOx were performed in an indoor photoreactor and in the outdoor simulation chamber EUPHORE in Valencia, Spain. The reaction products observed in both reaction chambers were n-butoxymethyl formate (NBMF), propionaldeyhde, and di-n-butyl carbonate (DNBC). In the indoor reactor yields for NBMF and propionaldeyhde of 77 ± 15 and 78 ± 16 mol % were obtained in the system DNBM/MeONO/NOx/air/hν and 88 ± 18 and 69 ± 14 mol % in the system DNBM/H2O2/NOx/air/hν, respectively. In the outdoor chamber, yields of 80 ± 8 and 44 ± 11 mol % were obtained after sunlight irradiation of a DNBM/NOx/HONO/air mixture. For di-n-butyl carbonate (DNBC), an upper limit of ≤10 mol % was estimated for both reaction chambers. In the indoor photoreactor small amounts of n-butyl formate (NBF) and n-butoxymethyl butyrate (NBMB) were also detected with upper limits of 3 mol % for each compound. Bimolecular rate coefficients for the r...