GENerator of reduced Organic Aerosol mechanism (GENOA v1.0): an automatic generation tool of semi-explicit mechanisms

This paper describes the GENerator of reduced Organic Aerosol mechanism (GENOA) that produces semi-explicit mechanisms for simulating the formation and evolution of secondary organic aerosol (SOA) in air quality models. Using a series of predefined reduction strategies and evaluation criteria, GENOA trains and reduces SOA mechanisms from near-explicit chemical mechanisms (e.g., the Master Chemical Mechanism - MCM) under representative atmospheric conditions. As a consequence, these trained SOA mechanisms can preserve the accuracy of detailed gas-phase chemical mechanisms on SOA formation (e.g., molecular structures of crucial organic compounds, the effect of non-ideality , and the hydrophilic/hydrophobic partitioning of aerosols), with a size (in terms of reaction and species numbers) that is manageable for three-dimensional (3-D) aerosol modeling (e.g., regional chemical transport models). Applied to the degradation of sesquiterpenes (as beta-caryophyllene) from MCM, GENOA builds a concise SOA mechanism (2 % of the MCM size) that consists of 23 reactions and 15 species, with 6 of them being condensable. The generated SOA mechanism has been evaluated regarding its ability to reproduce SOA concentrations under the varying atmospheric conditions encountered over Europe, with an average error lower than 3 %.

Automated summary

This paper describes GENOA, a generator that produces reduced organic aerosol mechanisms for simulating the formation and evolution of secondary organic aerosol in air quality models. GENOA uses predefined reduction strategies and evaluation criteria to train and simplify SOA mechanisms from near-explicit chemical mechanisms, resulting in manageable mechanisms that preserve the accuracy of detailed gas-phase chemical mechanisms.