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| DOI | 10.5194/acp-2020-583 |
| Estimation of rate coefficients for the reactions of O3 with unsaturated organic compounds for use in automated mechanism construction | |
| Michael E. Jenkin, Richard Valorso, Bernard Aumont, Mike J. Newland, and Andrew R. Rickard | |
| 2020-06-30 | |
| 发表期刊 | Atmospheric Chemistry and Physics
 |
| 出版年 | 2020 |
| 英文摘要 | Reaction with ozone (O3) is an important removal process for unsaturated volatile organic compounds (VOCs) in the atmosphere. Rate coefficients for reactions of O3 with VOCs are therefore essential parameters for chemical mechanisms used in chemistry transport models. Updated and extended structure–activity relationship (SAR) methods are presented for the reactions of O3 with mono- and poly-unsaturated organic compounds. The methods are optimized using a preferred set of data including reactions of O3 with 222 unsaturated compounds. For conjugated dialkene structures, site specific rates are defined, and for isolated poly-alkenes rates are defined for each double bond to determine the branching ratios for primary ozonide formation. The information can therefore guide the representation of the O3 reactions in the next generation of explicit detailed chemical mechanisms. |
| 领域 | 地球科学 |
| URL | 查看原文 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/281768 |
| 专题 | 地球科学 |
| 推荐引用方式 GB/T 7714 | Michael E. Jenkin, Richard Valorso, Bernard Aumont, Mike J. Newland, and Andrew R. Rickard. Estimation of rate coefficients for the reactions of O3 with unsaturated organic compounds for use in automated mechanism construction[J]. Atmospheric Chemistry and Physics,2020. |
| APA | Michael E. Jenkin, Richard Valorso, Bernard Aumont, Mike J. Newland, and Andrew R. Rickard.(2020).Estimation of rate coefficients for the reactions of O3 with unsaturated organic compounds for use in automated mechanism construction.Atmospheric Chemistry and Physics. |
| MLA | Michael E. Jenkin, Richard Valorso, Bernard Aumont, Mike J. Newland, and Andrew R. Rickard."Estimation of rate coefficients for the reactions of O3 with unsaturated organic compounds for use in automated mechanism construction".Atmospheric Chemistry and Physics (2020). |
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