A DETAILED MECHANISM FOR THE GAS-PHASE ATMOSPHERIC REACTIONS OF ORGANIC-COMPOUNDS

被引:489
|
作者
CARTER, WPL
机构
[1] Statewide Air Pollution Research Center, University of California, Riverside
来源
关键词
air pollution; air quality simulation models; alkanes; alkenes; aromatic hydrocarbons; Atmospheric chemistry; atmospheric reactivity; computer modeling; gas-phase reactions; kinetic mechanisms; organic compounds; organic nitrates; oxygenated organic compounds; ozone; photochemical smog;
D O I
10.1016/0960-1686(90)90005-8
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
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 repsent 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 mechanisms, by comparison of its predictions against the results over 500 environmental chamber experiments, 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. © 1990.
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页码:481 / 518
页数:38
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