ACP Atmospheric Chemistry and Physics ACP Atmos. Chem. Phys. 1680-7324 Copernicus Publications Göttingen, Germany 10.5194/acp-12-7577-2012 Modeling SOA formation from the oxidation of intermediate volatility <i>n</i>-alkanes Aumont B. 1 Valorso R. 1 Mouchel-Vallon C. 1 Camredon M. 1 Lee-Taylor J. 2 Madronich S. 2 LISA, CNRS/INSU UMR7583, Université Paris Est Créteil et Université Paris Diderot, Institut Pierre Simon Laplace, 94010 Créteil, France NCAR, National Center for Atmospheric Research, Boulder, CO, USA 21 08 2012 12 16 7577 7589 Copyright: © 2012 B. Aumont et al. 2012 This work is licensed under the Creative Commons Attribution 3.0 Unported License. To view a copy of this licence, visit https://creativecommons.org/licenses/by/3.0/ This article is available from https://acp.copernicus.org/articles/12/7577/2012/acp-12-7577-2012.html The full text article is available as a PDF file from https://acp.copernicus.org/articles/12/7577/2012/acp-12-7577-2012.pdf

The chemical mechanism leading to SOA formation and ageing is expected to be a multigenerational process, i.e. a successive formation of organic compounds with higher oxidation degree and lower vapor pressure. This process is here investigated with the explicit oxidation model GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere). Gas phase oxidation schemes are generated for the C<sub>8</sub>–C<sub>24</sub> series of <i>n</i>-alkanes. Simulations are conducted to explore the time evolution of organic compounds and the behavior of secondary organic aerosol (SOA) formation for various preexisting organic aerosol concentration (<i>C</i><sub>OA</sub>). As expected, simulation results show that (i) SOA yield increases with the carbon chain length of the parent hydrocarbon, (ii) SOA yield decreases with decreasing <i>C</i><sub>OA</sub>, (iii) SOA production rates increase with increasing <i>C</i><sub>OA</sub> and (iv) the number of oxidation steps (i.e. generations) needed to describe SOA formation and evolution grows when <i>C</i><sub>OA</sub> decreases. The simulated oxidative trajectories are examined in a two dimensional space defined by the mean carbon oxidation state and the volatility. Most SOA contributors are not oxidized enough to be categorized as highly oxygenated organic aerosols (OOA) but reduced enough to be categorized as hydrocarbon like organic aerosols (HOA), suggesting that OOA may underestimate SOA. Results show that the model is unable to produce highly oxygenated aerosols (OOA) with large yields. The limitations of the model are discussed.

 References Atkinson,&nbsp;R.: Rate constants for the atmospheric reactions of alkoxy radicals: an updated estimation method, Atmos. Environ., 41, 8468–8485, <a href="http://dx.doi.org/10.1016/j.atmosenv.2007.07.002">https://doi.org/10.1016/j.atmosenv.2007.07.002</a>, 2007. Atkinson,&nbsp;R. and Arey,&nbsp;J.: Atmospheric degradation of volatile organic compounds, Chem. Rev., 103, 4605–4638, <a href="http://dx.doi.org/10.1021/cr0206420">https://doi.org/10.1021/cr0206420</a>, 2003. Atkinson,&nbsp;R., Arey,&nbsp;J., and Aschmann,&nbsp;S.&nbsp;M.: Atmospheric chemistry of alkanes: review and recent developments, Atmos. Environ., 42, 5859–5871, <a href="http://dx.doi.org/10.1016/j.atmosenv.2007.08.040">https://doi.org/10.1016/j.atmosenv.2007.08.040</a>, 2008. Aumont,&nbsp;B., Madronich,&nbsp;S., Bey,&nbsp;I., and Tyndall,&nbsp;G.&nbsp;S.: Contribution of secondary VOC to the composition of aqueous atmospheric particles: a&nbsp;modeling approach, J.&nbsp;Atmos. Chem., 35, 59–75, <a href="http://dx.doi.org/10.1023/a:1006243509840">https://doi.org/10.1023/a:1006243509840</a>, 2000. Aumont,&nbsp;B., Szopa,&nbsp;S., and Madronich,&nbsp;S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a&nbsp;self generating approach, Atmos. Chem. Phys., 5, 2497–2517, <a href="http://dx.doi.org/10.5194/acp-5-2497-2005">https://doi.org/10.5194/acp-5-2497-2005</a>, 2005. Aumont,&nbsp;B., Camredon,&nbsp;M., Valorso,&nbsp;R., Lee-Taylor,&nbsp;J., and Madronich,&nbsp;S.: Development of systematic reduction techniques to describe the SOA/VOC/NO<sub>x</sub>/O<sub>3</sub> system, in: Atmospheric Chemical Mechanisms Conference, Air Quality Research Center, UC Davis, CA, 10–12 December 2008. Barley,&nbsp;M.&nbsp;H. and McFiggans,&nbsp;G.: The critical assessment of vapour pressure estimation methods for use in modelling the formation of atmospheric organic aerosol, Atmos. Chem. Phys., 10, 749–767, <a href="http://dx.doi.org/10.5194/acp-10-749-2010">https://doi.org/10.5194/acp-10-749-2010</a>, 2010. Barsanti,&nbsp;K.&nbsp;C., Smith,&nbsp;J.&nbsp;N., and Pankow,&nbsp;J.&nbsp;F.: Application of the np plus mP modeling approach for simulating secondary organic particulate matter formation from alpha-pinene oxidation, Atmos. Environ., 45, 6812–6819, <a href="http://dx.doi.org/10.1016/j.atmosenv.2011.01.038">https://doi.org/10.1016/j.atmosenv.2011.01.038</a>, 2011. Bethel,&nbsp;H.&nbsp;L., Atkinson,&nbsp;R., and Arey,&nbsp;J.: Kinetics and products of the reactions of selected diols with the OH radical, Int.&nbsp;J. Chem. Kinet., 33, 310–316, 2001. Calvert, J. G., Derwent, R. G., Orlando, J. J., Tyndall, G., and Wallington, T. J.: The mechanisms of atmospheric oxidation of the alkanes, Oxford University Press, New York, NY, 2008. Calvert, J. G., Mellouki, A., Orlando, J. J., Pilling, M. J., and Wallington, T. J.: The mechanisms of atmospheric oxidation of the oxygenates, Oxford University Press, New York, NY, 2011. Camredon,&nbsp;M., Aumont,&nbsp;B., Lee-Taylor,&nbsp;J., and Madronich,&nbsp;S.: The SOA/VOC/NO<sub>x</sub> system: an explicit model of secondary organic aerosol formation, Atmos. Chem. Phys., 7, 5599–5610, <a href="http://dx.doi.org/10.5194/acp-7-5599-2007">https://doi.org/10.5194/acp-7-5599-2007</a>, 2007. Cappa,&nbsp;C.&nbsp;D. and Wilson,&nbsp;K.&nbsp;R.: Multi-generation gas-phase oxidation, equilibrium partitioning, and the formation and evolution of secondary organic aerosol, Atmos. Chem. Phys. Discuss., 12, 3295–3356, <a href="http://dx.doi.org/10.5194/acpd-12-3295-2012">https://doi.org/10.5194/acpd-12-3295-2012</a>, 2012. Chacon-Madrid,&nbsp;H.&nbsp;J. and Donahue,&nbsp;N.&nbsp;M.: Fragmentation vs.\ functionalization: chemical aging and organic aerosol formation, Atmos. Chem. Phys., 11, 10553–10563, <a href="http://dx.doi.org/10.5194/acp-11-10553-2011">https://doi.org/10.5194/acp-11-10553-2011</a>, 2011. Chan,&nbsp;A.&nbsp;W.&nbsp;H., Kautzman,&nbsp;K.&nbsp;E., Chhabra,&nbsp;P.&nbsp;S., Surratt,&nbsp;J.&nbsp;D., Chan,&nbsp;M.&nbsp;N., Crounse,&nbsp;J.&nbsp;D., Kürten,&nbsp;A., Wennberg,&nbsp;P.&nbsp;O., Flagan,&nbsp;R.&nbsp;C., and Seinfeld,&nbsp;J.&nbsp;H.: Secondary organic aerosol formation from photooxidation of naphthalene and alkylnaphthalenes: implications for oxidation of intermediate volatility organic compounds (IVOCs), Atmos. Chem. Phys., 9, 3049–3060, <a href="http://dx.doi.org/10.5194/acp-9-3049-2009">https://doi.org/10.5194/acp-9-3049-2009</a>, 2009. Compernolle,&nbsp;S., Ceulemans,&nbsp;K., and Müller,&nbsp;J.-F.: Technical Note: Vapor pressure estimation methods applied to secondary organic aerosol constituents from α-pinene oxidation: an intercomparison study, Atmos. Chem. Phys., 10, 6271–6282, <a href="http://dx.doi.org/10.5194/acp-10-6271-2010">https://doi.org/10.5194/acp-10-6271-2010</a>, 2010. Decesari,&nbsp;S., Facchini,&nbsp;M.&nbsp;C., Fuzzi,&nbsp;S., and Tagliavini,&nbsp;E.: Characterization of water-soluble organic compounds in atmospheric aerosol: a&nbsp;new approach, J.&nbsp;Geophys. Res.-Atmos., 105, 1481–1489, <a href="http://dx.doi.org/10.1029/1999jd900950">https://doi.org/10.1029/1999jd900950</a>, 2000. Donahue,&nbsp;N.&nbsp;M., Robinson,&nbsp;A.&nbsp;L., Stanier,&nbsp;C.&nbsp;O., and Pandis,&nbsp;S.&nbsp;N.: Coupled partitioning, dilution, and chemical aging of semivolatile organics, Environ. Sci. Technol., 40, 2635–2643, <a href="http://dx.doi.org/10.1021/esO52297c">https://doi.org/10.1021/esO52297c</a>, 2006. Donahue,&nbsp;N.&nbsp;M., Epstein,&nbsp;S.&nbsp;A., Pandis,&nbsp;S.&nbsp;N., and Robinson,&nbsp;A.&nbsp;L.: A&nbsp;two-dimensional volatility basis set: 1.&nbsp;organic-aerosol mixing thermodynamics, Atmos. Chem. Phys., 11, 3303–3318, <a href="http://dx.doi.org/10.5194/acp-11-3303-2011">https://doi.org/10.5194/acp-11-3303-2011</a>, 2011. Donahue,&nbsp;N.&nbsp;M., Kroll,&nbsp;J.&nbsp;H., Pandis,&nbsp;S.&nbsp;N., and Robinson,&nbsp;A.&nbsp;L.: A&nbsp;two-dimensional volatility basis set – Part&nbsp;2: Diagnostics of organic-aerosol evolution, Atmos. Chem. Phys., 12, 615–634, <a href="http://dx.doi.org/10.5194/acp-12-615-2012">https://doi.org/10.5194/acp-12-615-2012</a>, 2012. Dzepina,&nbsp;K., Cappa,&nbsp;C.&nbsp;D., Volkamer,&nbsp;R.&nbsp;M., Madronich,&nbsp;S., DeCarlo,&nbsp;P.&nbsp;F., Zaveri,&nbsp;R.&nbsp;A., and Jimenez,&nbsp;J.&nbsp;L.: Modeling the multiday evolution and aging of secondary organic aerosol during MILAGRO 2006, Environ. Sci. Technol., 45, 3496–3503, <a href="http://dx.doi.org/10.1021/es103186f">https://doi.org/10.1021/es103186f</a>, 2011. El Haddad,&nbsp;I., Marchand,&nbsp;N., Dron,&nbsp;J., Temime-Roussel,&nbsp;B., Quivet,&nbsp;E., Wortham,&nbsp;H., Jaffrezo,&nbsp;J.&nbsp;L., Baduel,&nbsp;C., Voisin,&nbsp;D., Besombes,&nbsp;J.&nbsp;L., and Gille,&nbsp;G.: Comprehensive primary particulate organic characterization of vehicular exhaust emissions in France, Atmos. Environ., 43, 6190–6198, <a href="http://dx.doi.org/10.1016/j.atmosenv.2009.09.001">https://doi.org/10.1016/j.atmosenv.2009.09.001</a>, 2009. Fraser,&nbsp;M.&nbsp;P., Cass,&nbsp;G.&nbsp;R., Simoneit,&nbsp;B.&nbsp;R.&nbsp;T., and Rasmussen,&nbsp;R.&nbsp;A.: Air quality model evaluation data for organics .4. C-2-C-36 non-aromatic hydrocarbons, Environ. Sci. Technol., 31, 2356–2367, <a href="http://dx.doi.org/10.1021/es960980g">https://doi.org/10.1021/es960980g</a>, 1997. Goldstein,&nbsp;A.&nbsp;H. and Galbally,&nbsp;I.&nbsp;E.: Known and unexplored organic constituents in the earth's atmosphere, Environ. Sci. Technol., 41, 1514–1521, 2007. Grieshop,&nbsp;A.&nbsp;P., Logue,&nbsp;J.&nbsp;M., Donahue,&nbsp;N.&nbsp;M., and Robinson,&nbsp;A.&nbsp;L.: Laboratory investigation of photochemical oxidation of organic aerosol from wood fires&nbsp;1: measurement and simulation of organic aerosol evolution, Atmos. Chem. Phys., 9, 1263–1277, <a href="http://dx.doi.org/10.5194/acp-9-1263-2009">https://doi.org/10.5194/acp-9-1263-2009</a>, 2009. Heald,&nbsp;C.&nbsp;L., Kroll,&nbsp;J.&nbsp;H., Jimenez,&nbsp;J.&nbsp;L., Docherty,&nbsp;K.&nbsp;S., DeCarlo,&nbsp;P.&nbsp;F., Aiken,&nbsp;A.&nbsp;C., Chen,&nbsp;Q., Martin,&nbsp;S.&nbsp;T., Farmer,&nbsp;D.&nbsp;K., and Artaxo,&nbsp;P.: A&nbsp;simplified description of the evolution of organic aerosol composition in the atmosphere, Geophys. Res. Lett., 37, L08803, <a href="http://dx.doi.org/10.1029/2010gl042737">https://doi.org/10.1029/2010gl042737</a>, 2010. Hodzic,&nbsp;A., Jimenez,&nbsp;J.&nbsp;L., Madronich,&nbsp;S., Canagaratna,&nbsp;M.&nbsp;R., DeCarlo,&nbsp;P.&nbsp;F., Kleinman,&nbsp;L., and Fast,&nbsp;J.: Modeling organic aerosols in a&nbsp;megacity: potential contribution of semi-volatile and intermediate volatility primary organic compounds to secondary organic aerosol formation, Atmos. Chem. Phys., 10, 5491–5514, <a href="http://dx.doi.org/10.5194/acp-10-5491-2010">https://doi.org/10.5194/acp-10-5491-2010</a>, 2010. Jathar,&nbsp;S.&nbsp;H., Farina,&nbsp;S.&nbsp;C., Robinson,&nbsp;A.&nbsp;L., and Adams,&nbsp;P.&nbsp;J.: The influence of semi-volatile and reactive primary emissions on the abundance and properties of global organic aerosol, Atmos. Chem. Phys., 11, 7727–7746, <a href="http://dx.doi.org/10.5194/acp-11-7727-2011">https://doi.org/10.5194/acp-11-7727-2011</a>, 2011. Jimenez,&nbsp;J.&nbsp;L., Canagaratna,&nbsp;M.&nbsp;R., Donahue,&nbsp;N.&nbsp;M., Prevot,&nbsp;A.&nbsp;S.&nbsp;H., Zhang,&nbsp;Q., Kroll,&nbsp;J.&nbsp;H., DeCarlo,&nbsp;P.&nbsp;F., Allan,&nbsp;J.&nbsp;D., Coe,&nbsp;H., Ng,&nbsp;N.&nbsp;L., Aiken,&nbsp;A.&nbsp;C., Docherty,&nbsp;K.&nbsp;S., Ulbrich,&nbsp;I.&nbsp;M., Grieshop,&nbsp;A.&nbsp;P., Robinson,&nbsp;A.&nbsp;L., Duplissy,&nbsp;J., Smith,&nbsp;J.&nbsp;D., Wilson,&nbsp;K.&nbsp;R., Lanz,&nbsp;V.&nbsp;A., Hueglin,&nbsp;C., Sun,&nbsp;Y.&nbsp;L., Tian,&nbsp;J., Laaksonen,&nbsp;A., Raatikainen,&nbsp;T., Rautiainen,&nbsp;J., Vaattovaara,&nbsp;P., Ehn,&nbsp;M., Kulmala,&nbsp;M., Tomlinson,&nbsp;J.&nbsp;M., Collins,&nbsp;D.&nbsp;R., Cubison,&nbsp;M.&nbsp;J., Dunlea,&nbsp;E.&nbsp;J., Huffman,&nbsp;J.&nbsp;A., Onasch,&nbsp;T.&nbsp;B., Alfarra,&nbsp;M.&nbsp;R., Williams,&nbsp;P.&nbsp;I., Bower,&nbsp;K., Kondo,&nbsp;Y., Schneider,&nbsp;J., Drewnick,&nbsp;F., Borrmann,&nbsp;S., Weimer,&nbsp;S., Demerjian,&nbsp;K., Salcedo,&nbsp;D., Cottrell,&nbsp;L., Griffin,&nbsp;R., Takami,&nbsp;A., Miyoshi,&nbsp;T., Hatakeyama,&nbsp;S., Shimono,&nbsp;A., Sun,&nbsp;J.&nbsp;Y., Zhang,&nbsp;Y.&nbsp;M., Dzepina,&nbsp;K., Kimmel,&nbsp;J.&nbsp;R., Sueper,&nbsp;D., Jayne,&nbsp;J.&nbsp;T., Herndon,&nbsp;S.&nbsp;C., Trimborn,&nbsp;A.&nbsp;M., Williams,&nbsp;L.&nbsp;R., Wood,&nbsp;E.&nbsp;C., Middlebrook,&nbsp;A.&nbsp;M., Kolb,&nbsp;C.&nbsp;E., Baltensperger,&nbsp;U., and Worsnop,&nbsp;D.&nbsp;R.: Evolution of organic aerosols in the atmosphere, Science, 326, 1525–1529, <a href="http://dx.doi.org/10.1126/science.1180353">https://doi.org/10.1126/science.1180353</a>, 2009. Kanakidou,&nbsp;M., Seinfeld,&nbsp;J.&nbsp;H., Pandis,&nbsp;S.&nbsp;N., Barnes,&nbsp;I., Dentener,&nbsp;F.&nbsp;J., Facchini,&nbsp;M.&nbsp;C., Van&nbsp;Dingenen,&nbsp;R., Ervens,&nbsp;B., Nenes,&nbsp;A., Nielsen,&nbsp;C.&nbsp;J., Swietlicki,&nbsp;E., Putaud,&nbsp;J.&nbsp;P., Balkanski,&nbsp;Y., Fuzzi,&nbsp;S., Horth,&nbsp;J., Moortgat,&nbsp;G.&nbsp;K., Winterhalter,&nbsp;R., Myhre,&nbsp;C.&nbsp;E.&nbsp;L., Tsigaridis,&nbsp;K., Vignati,&nbsp;E., Stephanou,&nbsp;E.&nbsp;G., and Wilson,&nbsp;J.: Organic aerosol and global climate modelling: a&nbsp;review, Atmos. Chem. Phys., 5, 1053–1123, <a href="http://dx.doi.org/10.5194/acp-5-1053-2005">https://doi.org/10.5194/acp-5-1053-2005</a>, 2005. Kroll,&nbsp;J.&nbsp;H. and Seinfeld,&nbsp;J.&nbsp;H.: Chemistry of secondary organic aerosol: formation and evolution of low-volatility organics in the atmosphere, Atmos. Environ., 42, 3593–3624, <a href="http://dx.doi.org/10.1016/j.atmosenv.2008.01.003">https://doi.org/10.1016/j.atmosenv.2008.01.003</a>, 2008. Kroll,&nbsp;J.&nbsp;H., Smith,&nbsp;J.&nbsp;D., Che,&nbsp;D.&nbsp;L., Kessler,&nbsp;S.&nbsp;H., Worsnop,&nbsp;D.&nbsp;R., and Wilson,&nbsp;K.&nbsp;R.: Measurement of fragmentation and functionalization pathways in the heterogeneous oxidation of oxidized organic aerosol, Phys. Chem. Chem. Phys., 11, 8005–8014, <a href="http://dx.doi.org/10.1039/b905289e">https://doi.org/10.1039/b905289e</a>, 2009. Kroll, J. H., Donahue, N. M., Jimenez, J. L., Kessler, S. H., Canagaratna, M. R., Wilson, K. R., Altieri, K. E., Mazzoleni, L.R., Wozniak, A. S., Bluhm, H., Mysak, E. R., Smith, J. D., Kolb, C. E., and Worsnop, D. R.: Carbon oxidation state as a metric for describing the chemistry of atmospheric organic aerosol, Nature Chem., 3, 133–139, <a href="http://dx.doi.org/10.1038/nchem.948">https://doi.org/10.1038/nchem.948</a>, 2011. Kwok,&nbsp;E.&nbsp;S.&nbsp;C. and Atkinson,&nbsp;R.: Estimation of hydroxyl radical reaction-rate constants for gas-phase organic-compounds using a&nbsp;structure-reactivity relationship – an update, Atmos. Environ., 29, 1685–1695, <a href="http://dx.doi.org/10.1016/1352-2310(95)00069-b">https://doi.org/10.1016/1352-2310(95)00069-b</a>, 1995. Lee-Taylor,&nbsp;J., Madronich,&nbsp;S., Aumont,&nbsp;B., Baker,&nbsp;A., Camredon,&nbsp;M., Hodzic,&nbsp;A., Tyndall,&nbsp;G.&nbsp;S., Apel,&nbsp;E., and Zaveri,&nbsp;R.&nbsp;A.: Explicit modeling of organic chemistry and secondary organic aerosol partitioning for Mexico City and its outflow plume, Atmos. Chem. Phys., 11, 13219–13241, <a href="http://dx.doi.org/10.5194/acp-11-13219-2011">https://doi.org/10.5194/acp-11-13219-2011</a>, 2011. Li,&nbsp;G., Zavala,&nbsp;M., Lei,&nbsp;W., Tsimpidi,&nbsp;A.&nbsp;P., Karydis,&nbsp;V.&nbsp;A., Pandis,&nbsp;S.&nbsp;N., Canagaratna,&nbsp;M.&nbsp;R., and Molina,&nbsp;L.&nbsp;T.: Simulations of organic aerosol concentrations in Mexico City using the WRF-CHEM model during the MCMA-2006/MILAGRO campaign, Atmos. Chem. Phys., 11, 3789–3809, <a href="http://dx.doi.org/10.5194/acp-11-3789-2011">https://doi.org/10.5194/acp-11-3789-2011</a>, 2011. Lim,&nbsp;Y.&nbsp;B. and Ziemann,&nbsp;P.&nbsp;J.: Products and mechanism of secondary organic aerosol formation from reactions of n-alkanes with OH radicals in the presence of NO<sub>x</sub>, Environ. Sci. Technol., 39, 9229–9236, <a href="http://dx.doi.org/10.1021/es051447g">https://doi.org/10.1021/es051447g</a>, 2005. Lim,&nbsp;Y.&nbsp;B. and Ziemann,&nbsp;P.&nbsp;J.: Effects of molecular structure on aerosol yields from OH radical-initiated reactions of linear, branched, and cyclic alkanes in the presence of NO<sub>x</sub>, Environ. Sci. Technol., 43, 2328–2334, <a href="http://dx.doi.org/10.1021/es803389s">https://doi.org/10.1021/es803389s</a>, 2009. Madronich,&nbsp;S. and Flocke,&nbsp;S.: Theoretical estimation of biologically effective UV radiation at the Earth's surfaceSolar, in: Solar Ultraviolet Radiation – Modeling, Measurements and Effects, edited by: Zerefos,&nbsp;C., Springer-Verlag, Berlin, 23–48, 1997. Matsunaga,&nbsp;A., Docherty,&nbsp;K.&nbsp;S., Lim,&nbsp;Y.&nbsp;B., and Ziemann,&nbsp;P.&nbsp;J.: Composition and yields of secondary organic aerosol formed from OH radical-initiated reactions of linear alkenes in the presence of NO<sub>x</sub>: modeling and measurements, Atmos. Environ., 43, 1349–1357, <a href="http://dx.doi.org/10.1016/j.atmosenv.2008.12.004">https://doi.org/10.1016/j.atmosenv.2008.12.004</a>, 2009. Miracolo,&nbsp;M.&nbsp;A., Presto,&nbsp;A.&nbsp;A., Lambe,&nbsp;A.&nbsp;T., Hennigan,&nbsp;C.&nbsp;J., Donahue,&nbsp;N.&nbsp;M., Kroll,&nbsp;J.&nbsp;H., Worsnop,&nbsp;D.&nbsp;R., and Robinson,&nbsp;A.&nbsp;L.: Photo-oxidation of low-volatility organics found in motor vehicle emissions: production and chemical evolution of organic aerosol mass, Environ. Sci. Technol., 44, 1638–1643, <a href="http://dx.doi.org/10.1021/es902635c">https://doi.org/10.1021/es902635c</a>, 2010. Nannoolal,&nbsp;Y., Rarey,&nbsp;J., Ramjugernath,&nbsp;D., and Cordes,&nbsp;W.: Estimation of pure component properties: Part 1. Estimation of the normal boiling point of non-electrolyte organic compounds via group contributions and group interactions, Fluid Phase Equilibr., 226, 45–63, 2004. Nannoolal,&nbsp;Y., Rarey,&nbsp;J., and Ramjugernath,&nbsp;D.: Estimation of pure component properties: Part 3. Estimation of the vapor pressure of non-electrolyte organic compounds via group contributions and group interactions, Fluid Phase Equilibr., 269, 117–133, 2008. Pankow,&nbsp;J.&nbsp;F.: An absorption-model of the gas aerosol partitioning involved in the formation of secondary organic aerosol, Atmos. Environ., 28, 189–193, 1994. Pankow,&nbsp;J.&nbsp;F. and Barsanti,&nbsp;K.&nbsp;C.: The carbon number-polarity grid: a&nbsp;means to manage the complexity of the mix of organic compounds when modeling atmospheric organic particulate matter, Atmos. Environ., 43, 2829–2835, <a href="http://dx.doi.org/10.1016/j.atmosenv.2008.12.050">https://doi.org/10.1016/j.atmosenv.2008.12.050</a>, 2009. Presto,&nbsp;A.&nbsp;A., Miracolo,&nbsp;M.&nbsp;A., Donahue,&nbsp;N.&nbsp;M., and Robinson,&nbsp;A.&nbsp;L.: Secondary organic aerosol formation from high-NO<sub>x</sub> photo-oxidation of low volatility precursors: n-alkanes, Environ. Sci. Technol., 44, 2029–2034, <a href="http://dx.doi.org/10.1021/es903712r">https://doi.org/10.1021/es903712r</a>, 2010. Robinson,&nbsp;A.&nbsp;L., Donahue,&nbsp;N.&nbsp;M., Shrivastava,&nbsp;M.&nbsp;K., Weitkamp,&nbsp;E.&nbsp;A., Sage,&nbsp;A.&nbsp;M., Grieshop,&nbsp;A.&nbsp;P., Lane,&nbsp;T.&nbsp;E., Pierce,&nbsp;J.&nbsp;R., and Pandis,&nbsp;S.&nbsp;N.: Rethinking organic aerosols: semivolatile emissions and photochemical aging, Science, 315, 1259–1262, <a href="http://dx.doi.org/10.1126/science.1133061">https://doi.org/10.1126/science.1133061</a>, 2007. Schauer,&nbsp;J.&nbsp;J., Kleeman,&nbsp;M.&nbsp;J., Cass,&nbsp;G.&nbsp;R., and Simoneit,&nbsp;B.&nbsp;R.&nbsp;T.: Measurement of emissions from air pollution sources. 2. C-1 through C-30 organic compounds from medium duty diesel trucks, Environ. Sci. Technol., 33, 1578–1587, <a href="http://dx.doi.org/10.1021/es980081n">https://doi.org/10.1021/es980081n</a>, 1999. Schauer,&nbsp;J.&nbsp;J., Kleeman,&nbsp;M.&nbsp;J., Cass,&nbsp;G.&nbsp;R., and Simoneit,&nbsp;B.&nbsp;R.&nbsp;T.: Measurement of emissions from air pollution sources. 5. C-1-C-32 organic compounds from gasoline-powered motor vehicles, Environ. Sci. Technol., 36, 1169–1180, <a href="http://dx.doi.org/10.1021/es0108077">https://doi.org/10.1021/es0108077</a>, 2002. Sempere,&nbsp;R. and Kawamura,&nbsp;K.: Comparative distributions of dicarboxylic-acids and related polar compounds in snow rain and aerosols from urban atmosphere, Atmos. Environ., 28, 449–459, <a href="http://dx.doi.org/10.1016/1352-2310(94)90123-6">https://doi.org/10.1016/1352-2310(94)90123-6</a>, 1994. Tsimpidi,&nbsp;A.&nbsp;P., Karydis,&nbsp;V.&nbsp;A., Zavala,&nbsp;M., Lei,&nbsp;W., Molina,&nbsp;L., Ulbrich,&nbsp;I.&nbsp;M., Jimenez,&nbsp;J.&nbsp;L., and Pandis,&nbsp;S.&nbsp;N.: Evaluation of the volatility basis-set approach for the simulation of organic aerosol formation in the Mexico City metropolitan area, Atmos. Chem. Phys., 10, 525–546, <a href="http://dx.doi.org/10.5194/acp-10-525-2010">https://doi.org/10.5194/acp-10-525-2010</a>, 2010. Valorso,&nbsp;R., Aumont,&nbsp;B., Camredon,&nbsp;M., Raventos-Duran,&nbsp;T., Mouchel-Vallon,&nbsp;C., Ng,&nbsp;N.&nbsp;L., Seinfeld,&nbsp;J.&nbsp;H., Lee-Taylor,&nbsp;J., and Madronich,&nbsp;S.: Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation, Atmos. Chem. Phys., 11, 6895–6910, <a href="http://dx.doi.org/10.5194/acp-11-6895-2011">https://doi.org/10.5194/acp-11-6895-2011</a>, 2011. Verwer,&nbsp;J.&nbsp;G. and Vanloon,&nbsp;M.: An evaluation of explicit pseudo-steady-state approximation schemes for stiff ODE systems from chemical-kinetics, J.&nbsp;Comput. Phys., 113, 347–352, 1994. Verwer,&nbsp;J.&nbsp;G., Blom,&nbsp;J.&nbsp;G., VanLoon,&nbsp;M., and Spee,&nbsp;E.&nbsp;J.: A&nbsp;comparison of stiff ODE solvers for atmospheric chemistry problems, Atmos. Environ., 30, 49–58, 1996. Zhang,&nbsp;Q., Worsnop,&nbsp;D.&nbsp;R., Canagaratna,&nbsp;M.&nbsp;R., and Jimenez,&nbsp;J.&nbsp;L.: Hydrocarbon-like and oxygenated organic aerosols in Pittsburgh: insights into sources and processes of organic aerosols, Atmos. Chem. Phys., 5, 3289–3311, <a href="http://dx.doi.org/10.5194/acp-5-3289-2005">https://doi.org/10.5194/acp-5-3289-2005</a>, 2005. Zhang,&nbsp;Q., Jimenez,&nbsp;J.&nbsp;L., Canagaratna,&nbsp;M.&nbsp;R., Allan,&nbsp;J.&nbsp;D., Coe,&nbsp;H., Ulbrich,&nbsp;I., Alfarra,&nbsp;M.&nbsp;R., Takami,&nbsp;A., Middlebrook,&nbsp;A.&nbsp;M., Sun,&nbsp;Y.&nbsp;L., Dzepina,&nbsp;K., Dunlea,&nbsp;E., Docherty,&nbsp;K., DeCarlo,&nbsp;P.&nbsp;F., Salcedo,&nbsp;D., Onasch,&nbsp;T., Jayne,&nbsp;J.&nbsp;T., Miyoshi,&nbsp;T., Shimono,&nbsp;A., Hatakeyama,&nbsp;S., Takegawa,&nbsp;N., Kondo,&nbsp;Y., Schneider,&nbsp;J., Drewnick,&nbsp;F., Borrmann,&nbsp;S., Weimer,&nbsp;S., Demerjian,&nbsp;K., Williams,&nbsp;P., Bower,&nbsp;K., Bahreini,&nbsp;R., Cottrell,&nbsp;L., Griffin,&nbsp;R.&nbsp;J., Rautiainen,&nbsp;J., Sun,&nbsp;J.&nbsp;Y., Zhang,&nbsp;Y.&nbsp;M., and Worsnop,&nbsp;D.&nbsp;R.: Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere midlatitudes, Geophys. Res. Lett., 34, L13801, <a href="http://dx.doi.org/10.1029/2007gl029979">https://doi.org/10.1029/2007gl029979</a>, 2007.