FT-IR Kinetic and Product Study of the OH Radical-Initiated Oxidation of 1-Pentanol

Abstract

A kinetic and product study has been performed on the reaction of OH radicals with 1-pentanol in a 480-L glass chamber and also in the EUPHORE outdoor photoreactor in Valencia, Spain. Analysis of reactants and products was made by long-path in situ FT-IR spectroscopy and gas chromatography with photoionization detection. Using a relative kinetic technique, a rate coefficient of k(OH + 1-pentanol) = (1.11 ± 0.11) × 10-11 cm3 molecule-1 s-1 has been measured at 298 ± 2 K and 740 Torr total pressure of synthetic air. The products observed in the reaction of OH with 1-pentanol and their fractional molar yields were as follows: pentanal (0.405 ± 0.082); butanal (0.161 ± 0.037); propanal (0.081 ± 0.019); ethanal (0.181 ± 0.042); and HCHO (0.251± 0.013). The results support the possible formation of 5-hydroxy-2-pentanone, and residual absorptions indicate the possible presence of compounds such as 3-hydroxypropanal. From the product studies, a detailed atmospheric degradation mechanism has been constructed for ...