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) nitrate (NO3) radicals significantly impacts tropospheric oxidant levels secondary organic aerosol formation. The most comprehensive up-to-date chemical mechanism for consists several hundred species over 800 reactions. Therefore, computational expense including entire in large-scale atmospheric transport models is usually prohibitive, employ reduced mechanisms ranging size from ∼ 10 to 200 species. We have developed a new using directed-graph path-based automated model reduction approach, with minimal manual adjustment output mechanism. approach takes as inputs full mechanism, environmental parameter space, list priority which are protected elimination during process. Our AMORE-Isoprene (where AMORE stands Automated Model Reduction), 12 unique well 22 demonstrate its performance box comparison experimental data literature other current mechanisms. AMORE-Isoprene's respect predicting time evolution products, epoxydiols (IEPOX) formaldehyde, favorable compared similarly sized When included Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) Multiscale Air Quality (CMAQ, v5.3.3), O3 formaldehyde agreement Environmental Protection Agency (EPA) System observations improved. bias 3.4 ppb under daytime conditions concentrations 50 ppb. Formaldehyde 0.26 on average all measurements base CRACMM1. There was no significant change computation between CRACMM1AMORE CRACMM. shows 35 % improvement simulated IEPOX chamber CRACMM1 when Framework 0-D Modeling (F0AM) framework. This work demonstrates highly potential value complex reaction systems.