A new mechanism for regional atmospheric chemistry modeling
A new mechanism for regional atmospheric chemistry modeling
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DOI：
10.1029/97jd00849
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发表时间：
1997-11-27
影响因子：
4.4
通讯作者：
Seefeld, S
中科院分区：
文献类型：
--
作者：
Stockwell, WR;Kirchner, F;Seefeld, S
提出了一种新的区域大气化学模拟的气相化学机制--“区域大气化学机制”（RACM）。该机制的目的是有效的远程污染的条件下，从地球表面通过对流层上层。RACM机制基于早期的区域酸沉积模型，版本2（RADM 2）机制[Stockwell等人，1990]和更详细的Euro-RADM机制[Stockwell和Kley，1994]。RACM机制包括速率常数和产品产量从最近的实验室测量，它已被测试对环境室的数据。一个新的缩合反应机制包括生物源化合物：异戊二烯，α-蒎烯，和d-柠檬烯。烷烃衰变的分支比进行了重新评估，并在修订后的机制，醛酮比显着降低。无支链烯烃与NO3反应产生的相对大量的硝酸盐现在被包括在内，烯烃臭氧分解产生HO的产率要高得多。通过使用新的实验室数据，对芳烃化学进行了修订。从芳烃生产甲酚的产率降低，而HO，NO3和O-3与不饱和二羰基物种和不饱和过氧硝酸盐的反应现在包括在RACM机制中。修订了过氧乙酰硝酸酯化学和有机过氧自由基-过氧自由基反应，增加了有机过氧自由基+ NO3反应。
A new gas-phase chemical mechanism for the modeling of regional atmospheric chemistry, the ''Regional Atmospheric Chemistry Mechanism'' (RACM) is presented. The mechanism is intended to be valid for remote to polluted conditions and from the Earth's surface through the upper troposphere. The RACM mechanism is based upon the earlier Regional Acid Deposition Model, version 2 (RADM2) mechanism [Stockwell et al., 1990] and the more detailed Euro-RADM mechanism [Stockwell and Kley, 1994]. The RACM mechanism includes rate constants and product yields from the most recent laboratory measurements, and it has been tested against environmental chamber data. A new condensed reaction mechanism is included for biogenic compounds: isoprene, alpha-pinene, and d-limonene. The branching ratios for alkane decay were reevaluated, and in the revised mechanism the aldehyde to ketone ratios were significantly reduced. The relatively large amounts of nitrates resulting from the reactions of unbranched alkenes with NO3 are now included, and the production of HO from the ozonolysis of alkenes has a much greater yield. The aromatic chemistry has been revised through the use of new laboratory data. The yield of cresol production from aromatics was reduced, while the reactions of HO, NO3, and O-3 with unsaturated dicarbonyl species and unsaturated peroxynitrate are now included in the RACM mechanism. The peroxyacetyl nitrate chemistry and the organic peroxy radical-peroxy radical reactions were revised, and organic peroxy radical + NO3 reactions were added.