Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds
Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds
复制标题
DOI：
10.5194/acpd-2-1905-2002
复制
发表时间：
2020
期刊：
影响因子：
--
通讯作者：
M. Jenkin;S. M. Saunders;V. Wagner;M. Pilling
中科院分区：
文献类型：
--
作者：
M. Jenkin;S. M. Saunders;V. Wagner;M. Pilling
芳香族挥发性有机化合物（VOC）的对流层降解相关的动力学和机械数据已被用来定义一个机制开发协议，已被用来构建18个芳香族VOC的降解计划的一部分，第3版的主化学机制（MCM v3）。这是补充的107非芳香族VOC的治疗，在一个配套文件。该方案分为一系列小节，描述了起始反应、通过许多竞争性途径降解为第一代产品的化学反应以及第一代和后续产品的进一步降解。重点放在描述的处理不同于适用于非芳香族VOC。该方案基于截至2001年初的公开文献中的工作，以及作者已知的一些其他研究，这些研究当时正在审查中。光化学臭氧生成潜力（POCP）已计算出18芳香族VOC在MCM v3的理想条件下，适合西北欧，使用光化学轨迹模型。POCP值提供了VOC的相对臭氧形成能力的量度。这些显示出明显的差异，从POCP值计算的芳烃，使用早期版本的MCM，这些差异的原因进行了讨论。
Kinetic and mechanistic data relevant to the tropospheric degradation of aromatic volatile organic compounds (VOC) have been used to define a mechanism development protocol, which has been used to construct degradation schemes for 18 aromatic VOC as part of version 3 of the Master Chemical Mechanism (MCM v3). This is complementary to the treatment of 107 non-aromatic VOC, presented in a companion paper. The protocol is divided into a series of subsections describing initiation reactions, the degradation chemistry to first generation products via a number of competitive routes, and the further degradation of first and subsequent generation products. Emphasis is placed on describing where the treatment differs from that applied to the non-aromatic VOC. The protocol is based on work available in the open literature up to the beginning of 2001, and some other studies known by the authors which were under review at the time. Photochemical Ozone Creation Potentials (POCP) have been calculated for the 18 aromatic VOC in MCM v3 for idealised conditions appropriate to north-west Europe, using a photochemical trajectory model. The POCP values provide a measure of the relative ozone forming abilities of the VOC. These show distinct differences from POCP values calculated previously for the aromatics, using earlier versions of the MCM, and reasons for these differences are discussed.