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The MCM v3.3.1 degradation scheme for isoprene

机译:MCM v3.3.1异戊二烯降解方案

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摘要

The chemistry of isoprene degradation in the Master Chemical Mechanism (MCM) has been systematically refined and updated to reflect recent advances in understanding, with these updates appearing in the latest version, MCM v3.3.1. The complete isoprene degradation mechanism in MCM v3.3.1 consists of 1926 reactions of 602 closed shell and free radical species, which treat the chemistry initiated by reaction with OH radicals, NO3 radicals and ozone (O-3). A detailed overview of the updates is provided, within the context of reported kinetic and mechanistic information. The revisions mainly relate to the OH-initiated chemistry, which tends to dominate under atmospheric conditions, although these include updates to the chemistry of some products that are also generated from the O-3-and NO3-initiated oxidation. The revisions have impacts in a number of key areas, including HOx recycling, NOx recycling and the formation of species reported to play a role in SOA (secondary organic aerosol)-formation mechanisms. The performance of the MCM v3.3.1 isoprene mechanism has been compared with those of earlier versions (MCM v3.1 and MCM v3.2) over a range of relevant conditions, using a box model of the tropical forested boundary layer. The results of these calculations are presented and discussed and are used to illustrate the impacts of the mechanistic updates in MCM v3.3.1.
机译:已对主化学机理(MCM)中异戊二烯的降解化学进行了系统地完善和更新,以反映最新的理解进展,这些更新出现在最新版本的MCM v3.3.1中。 MCM v3.3.1中完整的异戊二烯降解机理包括602个闭合壳和自由基物质的1926个反应,这些反应处理与OH自由基,NO3自由基和臭氧(O-3)反应引发的化学反应。在所报告的动力学和机械信息的背景下,提供了更新的详细概述。修订版主要涉及OH引发的化学反应,在大气条件下往往占主导地位,尽管这些更新包括对某些由O-3-和NO3引发的氧化反应生成的产品的化学反应的更新。修订对许多关键领域产生了影响,包括HOx回收,NOx回收以及据报道在SOA(二次有机气溶胶)形成机制中起作用的物种形成。使用热带森林边界层的箱型模型,在一系列相关条件下,已将MCM v3.3.1异戊二烯机制的性能与早期版本(MCM v3.1和MCM v3.2)进行了比较。这些计算的结果将进行介绍和讨论,并用于说明MCM v3.3.1中机械更新的影响。

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