Towards automated inclusion of autoxidation chemistry in models: from precursors to atmospheric implications

• DOI: 10.1039/d4ea00054d
• Publication Date: 2024-07-09T08:01:13Z
• Authors: Lukas Pichelstorfer; Pontus Roldin; Matti Rissanen; Noora Hyttinen; Olga Garmash; Carlton Xavier; Putian Zhou; Petri Clusius; Benjamin Foreback; Thomas Golin Almeida; Chenjuan Deng; Metin Baykara; Theo Kurten; Michael Boy
• Keywords: Autoxidation; Atmospheric chemistry

In the last few decades, atmospheric formation of secondary organic aerosols (SOA) has gained increasing attention due to their impact on air quality and climate. However, methods predict abundance are mainly empirical may fail under real conditions. this work, a close-to-mechanistic approach allowing SOA quantification is presented, with focus chain-like chemical reaction called "autoxidation". A novel framework employed (a) describe gas-phase chemistry, (b) products' molecular structures (c) explore contribution autoxidation chemistry various As proof concept, method applied benzene, an important anthropogenic precursor. Our results suggest explain up 100% benzene-SOA formed low-NO