雾霾是我国近年来较为突出的环境问题之一。雾霾细颗粒物的主要组成为来源于二次有机气溶胶(SOA)的有机物，因此研究SOA的形成机制对揭示雾霾成因具有重要意义。本项目针对大气和颗粒物中含氮化合物与Criegee中间体反应形成SOA的机制尚不明确的问题，采用理论计算的方法，探究大气中有机胺/酰胺化合物和颗粒物中氨基酸/尿素等代表性含氮有机物与Criegee中间体反应形成SOA的机制。通过探究大气中有机胺/酰胺与Criegee中间体的反应历程，确定含量较高的氧化产物结构，进而研究其在颗粒物界面的摄取机制，揭示SOA的形成过程。通过探究颗粒相中Criegee中间体与尿素/氨基酸反应生成SOA的机制，明确含氮化合物在颗粒物老化过程的作用。项目的研究成果揭示含氮化合物在SOA生成中的作用，为含氮化合物相关的雾霾天气成因的研究奠定基础，为我国大气污染防控政策的制定提供科学依据。

Haze is one of the most serious environmental problems in China nowadays. The main components of haze particles are organics originating from secondary organic aerosol (SOA). Thus the elucidation of SOA formation mechanisms is of significance to the identification of the causes of haze event. This project focuses on the formation mechanisms of SOA formed by reaction of criegee intermediate and nitrogen-containing compounds. Computational methods are adopted in this project to investigate the formation mechanisms of SOA from reaction of criegee intermediate and atmospheric amines/amides, as well as amino acids/urea in particulate matters. By studying the reaction pathways of criegee intermediate and atmospheric amines/amides, the products in high content are identified and their subsequent uptake mechanisms on particulate surface are studied to bring insight into the formation process of SOA. The formation mechanisms of SOA formed by criegee intermediate and amino acids/urea in particulate phase are investigated to unveil the role of nitrogen-containing compounds on the aging process of particles. The results of this project would demonstrate the role of nitrogen-containing compounds on SOA formation, lay the foundation of the studies about nitrogen-containing compounds related causes of haze event and provide scientific basis for the prevention and control of air pollution in China.