ACPD Atmospheric Chemistry and Physics Discussions ACPD 1680-7375 Copernicus GmbH Göttingen, Germany 10.5194/acpd-10-20559-2010 Modeling secondary organic aerosol formation from isoprene oxidation under dry and humid conditions Couvidat F. 1 Seigneur C. 1 CEREA, Joint Laboratory École des Ponts ParisTech/EDF R&D, Université Paris-Est, 77455 Marne la Vallée, France 30 08 2010 10 8 20559 20605 This is an open-access article ditributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. This article is available from http://www.atmos-chem-phys-discuss.net/10/20559/2010/acpd-10-20559-2010.html The full text article is available as a PDF file from http://www.atmos-chem-phys-discuss.net/10/20559/2010/acpd-10-20559-2010.pdf

A new model for the formation of secondary organic aerosol (SOA) from isoprene was developed. This model uses surrogate molecular species (hydroxy-hydroperoxides, tetrols, methylglyceric acid, organic nitrates) to represent SOA formation. The development of this model used available experimental data on yields and molecular composition of SOA from isoprene and methacrolein oxidation. This model reproduces the amount of particles measured in smog chambers under both low-NO<sub>x</sub> and high-NO<sub>x</sub> conditions. Under low-NO<sub>x</sub> conditions, the model reproduces the transitional formation of hydroxy-hydroperoxides particles, which are photolyzed and lead to SOA mass decrease after reaching a maximum. Under high-NO<sub>x</sub> conditions, particles are assumed to be formed mostly from the photo-oxidation of a PAN-type molecule derived from methacrolein (MPAN). This model successfully reproduces the complex NO<sub>x</sub>-dependence of isoprene oxidation and suggests a possible yield increase under some high-NO<sub>x</sub> conditions. Experimental data correspond to dry conditions (RH<10%). However, particles formed from isoprene are expected to be highly hydrophilic, and isoprene oxidation products would likely partition between an aqueous phase and the gas phase at high humidity in the atmosphere. The model was extended to take into account the hydrophilic properties of SOA, which are relevant under atmospheric conditions, and investigate the effect of particulate liquid water on SOA formation. An important increase in SOA mass was estimated for atmospheric conditions due to the hydrophilic properties. Experiments should be conducted to confirm the results of this study, which have implications for SOA modeling.

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