A detailed mechanism for the gas-phase atmospheric reactions of organic compounds
A detailed mechanism for the gas-phase atmospheric reactions of organic compounds
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DOI：
10.1016/j.atmosenv.2007.10.061
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发表时间：
1990
影响因子：
5
通讯作者：
W. Carter
中科院分区：
文献类型：
--
作者：
W. Carter
描述了100多种烷烃、烯烃、芳香烃、醇、醚和其他化合物的气相反应机理，这些化合物代表了排放到污染大气中的活性有机物的范围。这些有机物种中的大多数是用具有可变的速率常数和产物产率系数的广义反应来表示的，并对其进行了单独的赋值或估计。该反应机理采用19种物种代表反应性氧化产物和有机硝酸盐产物，包括二氧化硫的气相反应，但不包括多相反应或液相反应。对这一机制的评估，通过将其预测与500多个环境室内实验的结果进行比较，在另一篇论文中进行了描述。这种详细的机理可用于评估有机化合物的相对大气反应性，并可为推导出更浓缩的机理用于空气质量模拟模式提供基础。
A gas-phase reaction mechanism for the atmospheric photooxidations of over 100 alkanes, alkenes, aromatic hydrocarbons, alcohols, ethers and other compounds representative of the range of reactive organics emitted into polluted atmospheres is described. Most of these organic species are represented using generalized reactions with variable rate constants and product yield coefficients for which individual assignments were made or estimated. This mechanism employs 19 species to represent the reactive oxygenated and organic nitrate products, and includes the gas-phase reactions of SO2, but does not include heterogeneous or liquid-phase reactions. The evaluation of this mechanism, by comparison of its predictions against the results of over 500 environmental chamber experiments, is described in a separate paper. This detailed mechanism can be used in assessments of relative atmospheric reactivities of organic compounds, and can provide the basis for the derivation of more condensed mechanisms for use in air quality simulation models.