AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation.

ABSTRACT: Gas-phase oxidation of isoprene by ozone (O₃) and the hydroxyl (OH) and nitrate (NO₃) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ~ 10 to ~ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as

SUBMITTER: Wiser F 

PROVIDER: S-EPMC11770595 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature