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- Title
Aerosol Mass yields of selected Biogenic Volatile Organic Compounds - a theoretical study with near explicit gas-phase chemistry.
- Authors
Xavier, Carlton; Rusanen, Anton; Putian Zhou; Chen Dean; Pichelstorfer, Lukas; Roldin, Pontus; Boy, Michael
- Abstract
In this study we modeled secondary organic aerosols (SOA) mass loadings from the oxidation (by O3, OH and NO3) of five representative Biogenic Volatile Organic compounds (BVOCs): isoprene, endocyclic bond containing monoterpenes (α-pinene and limonene), exocyclic double bond compound (β-pinene) and a sesquiterpene (β-caryophyllene). The simulations were designed to replicate idealized smog chamber and oxidative flow reactors (OFR). The master chemical mechanism (MCM) together with the peroxy radical autoxidation mechanism (PRAM), were used to simulate the gas-phase chemistry. The aim of this study was to compare the potency of MCM and MCM+PRAM in predicating SOA formation. SOA yields were in good agreement with experimental values for chamber simulations when MCM+PRAM mechanism was applied, while a standalone MCM under-predicted the SOA yields. Compared to experimental yields, the OFR simulations using the MCM+PRAM mechanism over-predicted SOA mass yields for BVOCs oxidized by O3 and OH, probably owing to increased seed particle surface area used in the OFR simulations. SOA yields increased with decreasing temperatures and NO concentrations and vice-versa. This highlights the limitations posed when using fixed SOA yields in a majority of global and regional models. Few compounds that play a crucial role (>95% of mass load) in contributing to SOA mass increase (using MCM+PRAM) are identified. The results further emphasized that incorporating PRAM in conjunction with MCM does improve SOA mass yields estimation.
- Subjects
VOLATILE organic compounds; CARYOPHYLLENE; MONOTERPENES; AEROSOLS; CHEMISTRY; PEROXY radicals; DOUBLE bonds
- Publication
Atmospheric Chemistry & Physics Discussions, 2019, p1
- ISSN
1680-7367
- Publication type
Article
- DOI
10.5194/acp-2019-424