Instituto de Investigaciones en Fisicoquímica de Córdoba (INFIQC), CONICET, Centro Láser de Ciencias Moleculares, Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba (UNC), Ciudad Universitaria, Pabellón Argentina, Ala 1, 5000, Córdoba, Argentina.
Centro de Investigación y Transferencia en Ingeniería Química Ambiental (CIQA), Departamento de Ingeniería Química, Facultad Regional Córdoba, Universidad Tecnológica Nacional (UTN), Maestro López esq. Cruz Roja Argentina, 5016, Córdoba, Argentina.
Environ Sci Pollut Res Int. 2017 Nov;24(33):26049-26059. doi: 10.1007/s11356-017-0235-4. Epub 2017 Sep 23.
Rate coefficients for the gas-phase reactions of OH radicals and Cl atoms with 1-methoxy-2-propanone (1-M-2-PONE), 1-methoxy-2-propanol (1-M-2-POL), and 1-methoxy-2-butanol (1-M-2-BOL) were determined at room temperature and atmospheric pressure using a conventional relative-rate technique. The following absolute rate coefficients were derived: k (OH + 1-M-2-PONE) = (0.64 ± 0.13) × 10, k (OH + 1-M-2-BOL) = (2.19 ± 0.23) × 10, k (Cl + 1-M-2-PONE = (1.07 ± 0.24) × 10, k (Cl + 1-M-2-POL) = (2.28 ± 0.21) × 10, and k (Cl + 1-M-2-BOL) = (2.79 ± 0.23) × 10, in units of cm molecule s. This is the first experimental determination of k -k . These rate coefficients were used to discuss the influence of the structure on the reactivity of the studied polyfunctional organic compounds. The atmospheric implications for 1-M-2-PONE, 1-M-2-POL, and 1-M-2-BOL and their reactions were investigated estimating atmospheric parameters such as lifetimes, global warming potentials, and average photochemical ozone production. The approximate nature of these values was stressed considering that the studied oxygenated volatile organic compounds are short-lived compounds for which the calculated parameters may vary depending on chemical composition, location, and season at the emission points.
室温及常压下,使用传统相对速率技术,测定了 OH 自由基和 Cl 原子与 1-甲氧基-2-丙酮(1-M-2-PONE)、1-甲氧基-2-丙醇(1-M-2-POL)和 1-甲氧基-2-丁醇(1-M-2-BOL)气相反应的速率系数。由此得出以下绝对速率系数:k(OH+1-M-2-PONE)=(0.64±0.13)×10,k(OH+1-M-2-BOL)=(2.19±0.23)×10,k(Cl+1-M-2-PONE)=(1.07±0.24)×10,k(Cl+1-M-2-POL)=(2.28±0.21)×10,k(Cl+1-M-2-BOL)=(2.79±0.23)×10,速率系数的单位为 cm3 molecule-1 s-1。这是首次对 k1-M-2-PONE、k1-M-2-POL 和 k1-M-2-BOL 及它们的反应进行实验测定。这些速率系数用于讨论结构对所研究的多官能有机化合物反应性的影响。通过估算大气参数,如寿命、全球升温潜能和平均光化臭氧生成,研究了 1-M-2-PONE、1-M-2-POL 和 1-M-2-BOL 的大气影响及其反应。考虑到所研究的含氧挥发性有机化合物是寿命较短的化合物,其计算参数可能因化学成分、位置和排放点的季节而异,因此强调了这些值的近似性质。