Experimental and Theoretical Studies of Trans-2-Pentenal Atmospheric Ozonolysis

We investigated the kinetics, mechanism and secondary organic aerosols formation of ozonolysis trans-2-pentenal (T2P) using four different reactors with Fourier Transform InfraRed (FTIR) spectroscopy Gas Chromatography (GC) techniques at T = 298 ± 2 K 760 Torr in dry conditions. The rate coefficients branching ratios were also evaluated canonical variational transition (CVT) state theory coupled small curvature tunneling (CVT/SCT) range 278–350 K. experimental coefficient was (1.46 0.17) × 10−18 cm3 molecule−1 s−1, good agreement theoretical rate. two primary carbonyls yields, glyoxal propanal, 57 10% 42 12%, respectively, OH scavenger compared to 38 8% for 26 5% propanal without scavenger. Acetaldehyde 2-hydroxypropanal identified quantified yields 9 3% 5 2%, presence For production, an upper limit 24% estimated mesitylene as tracer. Combining findings enabled establishment a chemical mechanism. Finally, SOA observed mass about 1.5%. This work provides additional information on effect aldehyde functional group fragmentation ozonide.