Box model studies of the secondary organic aerosol formation under different HC/NOx conditions using the subset of the Master Chemical Mechanism for α‐pinene oxidation
Box model studies of the secondary organic aerosol formation under different HC/NOx conditions using the subset of the Master Chemical Mechanism for α‐pinene oxidation
复制标题
使用 α-蒎烯氧化主化学机理的子集对不同 HC/NOx 条件下二次有机气溶胶形成的箱模型研究
DOI：
10.1029/2007jd008726
复制
发表时间：
2008
影响因子：
--
通讯作者：
P. Makar
中科院分区：
文献类型：
--
作者：
A. Xia;D. Michelangeli;P. Makar
[1]采用描述α-蒎烯氧化反应（976个反应和331个化合物）的近显式主化学机理（v3.1）的一个子集与气体/颗粒吸收分配模型相结合，作为基准，研究了在平均HC/NOx比值为0.18 ~ 8.43（ppbvC/ppbv）的大气相关条件下，箱型模型中二次有机气溶胶（SOA）的形成。从α-蒎烯氧化的详细机制的结果表明，总SOA的质量增加的HC/NOx比在研究范围内的增加。过氧硝酸盐和硝酸盐在气溶胶相的质量随着HC/NOx比的增加而增加，尽管这些物种的总质量（气体加气溶胶）减少，因为在这些条件下有机过氧化物和酸的质量增加。气溶胶质量的分数组成表明有机过氧化物和酸在高HC/NOx比下占主导地位，过氧硝酸盐和硝酸盐在低HC/NOx比下占主导地位。此外，在149种可冷凝产物中，有28种被鉴定为形成SOA的重要化合物。在有机硝酸盐中，只有两种始终对有机气溶胶质量有贡献。气溶胶相中的有机过氧化物和酸质量分布在大量物种上。这里确定的28种是合适的目标，为未来的实验室和现场分析的有机气溶胶，并建议在未来的机制减少工作中使用。
[1] A subset of a near-explicit Master Chemical Mechanism (v3.1) describing α-pinene oxidation (976 reactions and 331 compounds) coupled with a gas/particle absorptive partitioning model is used as a benchmark for the study of secondary organic aerosol (SOA) formation within a box model under atmospheric relevant conditions of averaged HC/NOx ratios between 0.18 and 8.43 (ppbvC/ppbv). Results from the detailed mechanism for α-pinene oxidation show that total SOA mass increases as the HC/NOx ratio increases within the studied range. The mass of peroxynitrates and the nitrates in the aerosol phase increases with increasing HC/NOx ratio, despite decreases in the total (gas plus aerosol) mass of these species, because of increases in mass of organic peroxides and acids in these conditions. The fractional composition of aerosol mass indicates organic peroxides and acids dominate at high HC/NOx ratios and peroxynitrates and nitrates dominate at low HC/NOx ratios. In addition, 28 out of 149 condensable products are identified as important compounds for SOA formation. Of the organic nitrates, only two contribute consistently to organic aerosol mass. Organic peroxide and acid mass in the aerosol phase is distributed over a larger number of species. The 28 species identified here are suitable targets for future laboratory and field analysis of organic aerosols and are recommended for use in future mechanism reduction work.
影响因子：
2
作者：
P. Pinho;C. Pio;William P. L. Carter;Michael E. Jenkin
通讯作者：
P. Pinho;C. Pio;William P. L. Carter;Michael E. Jenkin