caa a22 4500 475823516 CHVBK 20180406123825.0 cr unu---uuuuu 170329e20000101xx s 000 0 eng 10.1023/A:1006243509840 doi (NATIONALLICENCE)springer-10.1023/A:1006243509840 Contribution of Secondary VOC to the Composition of Aqueous Atmospheric Particles: A Modeling Approach [Elektronische Daten] [Bernard Aumont, Sasha Madronich, Isabelle Bey, Geoffrey Tyndall] Measurements show that 20-60% of the carbon mass present in fine atmospheric particulate matter consists of water soluble organic compounds (WSOC). However, only 5-20% of this WSOC has been identified, mainly as dicarboxylic acids. Because of their high solubility in water, multifunctional secondary compounds derived from the gas-phase oxidation of volatile organic compounds (VOC) are suspected to be key contributors to the WSOC. To test this assumption, an estimate of aqueous uptake of secondary VOC was included in a highly detailed gas-phase mechanism which treats explicitly the formation of the secondary VOC from a set of representative primary species. Simulations were conducted for 2 scenarios, representing typical rural and urban areas. It was observed that the uptake of secondary VOC can lead to WSOC mass concentrations in the range of a few μC m−3, in fairly good agreement with typical WSOC mass concentrations measured. Speciation of WSOC was found to be mainly as tri- or higher multifunctional hydroxy-carbonyl species and hydroxy-hydroperoxide-carbonyl species, in urban and rural environments, respectively. However, it was also found that taking into account only the absorption of secondary VOC does not bring the carboxylic acids mass concentration in agreement with measurements. An attempt was made to explain this discrepancy by introducing chemistry occurring within deliquescent aerosols. Kluwer Academic Publishers, 2000 organic particle composition nationallicence organic aerosol nationallicence water-soluble organics nationallicence multifunctional compounds nationallicence Aumont Bernard Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Universités Paris 7 et Paris 12, 94010, Créteil Cedex, France aut Madronich Sasha Atmospheric Chemistry Division, National Center for Atmospheric Research, PO Box 3000, 80307, Boulder, Colorado, U.S.A. aut Bey Isabelle Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Universités Paris 7 et Paris 12, 94010, Créteil Cedex, France aut Tyndall Geoffrey Atmospheric Chemistry Division, National Center for Atmospheric Research, PO Box 3000, 80307, Boulder, Colorado, U.S.A. aut Journal of Atmospheric Chemistry Kluwer Academic Publishers 35/1(2000-01-01), 59-75 0167-7764 35:1<59 2000 35 10874 https://doi.org/10.1023/A:1006243509840 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1006243509840 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Aumont Bernard Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Universités Paris 7 et Paris 12, 94010, Créteil Cedex, France aut NATIONALLICENCE 700 1- Madronich Sasha Atmospheric Chemistry Division, National Center for Atmospheric Research, PO Box 3000, 80307, Boulder, Colorado, U.S.A aut NATIONALLICENCE 700 1- Bey Isabelle Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Universités Paris 7 et Paris 12, 94010, Créteil Cedex, France aut NATIONALLICENCE 700 1- Tyndall Geoffrey Atmospheric Chemistry Division, National Center for Atmospheric Research, PO Box 3000, 80307, Boulder, Colorado, U.S.A aut NATIONALLICENCE 773 0- Journal of Atmospheric Chemistry Kluwer Academic Publishers 35/1(2000-01-01), 59-75 0167-7764 35:1<59 2000 35 10874 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer