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

• Published in: Environmental science & technology 2000-10, Vol.34 (19), p.4111-4116
• Main Authors: Cavalli, Fabrizia, Barnes, Ian, Becker, Karl Heinz
• Format: Article
• Language: English
• Subjects: Air pollution; Applied sciences; Atmospheric pollution; Chemical composition and interactions. Ionic interactions and processes; Earth, ocean, space; Exact sciences and technology; External geophysics; Meteorology; Oxygen; Pollutants physicochemistry study: properties, effects, reactions, transport and distribution; Pollution; Tests
• ISSN: 0013-936X; 1520-5851
• DOI: 10.1021/es000016p

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 the OH radical-initiated oxidation of 1-pentanol.