edu.ucar.opensky::articles:10592 UCAR/NCAR - Library OpenSky Support PO Box 3000 Boulder CO 80307-3000 opensky@ucar.edu http://opensky.ucar.edu/ homepage pointOfContact 2025-12-26T13:33:01.241664 ISO 19115-2 Geographic Information - Metadata - Part 2: Extensions for Imagery and Gridded Data ISO 19115-2:2009(E) https://n2t.org/ark:/85065/d77m08g3 Explicit modelling of SOA formation from pinene photooxidation: Sensitivity to vapour pressure estimation 2011-07-18T00:00:00Z publication https://n2t.org/ark:/85065/d77m08g3 https://doi.org/10.5194/acp-11-6895-2011 Valorso, R. author Aumont, B. author Camredon, M. author Raventos-Duran, T. author Mouchel-Vallon, C. author Ng, N. author Seinfeld, John author Lee-Taylor, Julia author Madronich, Sasha author UCAR/NCAR - Library publisher The sensitivity of the formation of secondary organic aerosol (SOA) to the estimated vapour pressures of the condensable oxidation products is explored. A highly detailed reaction scheme was generated for pinene photooxidation using the Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A). Vapour pressures (Pvap) were estimated with three commonly used structure activity relationships. The values of Pvap were compared for the set of secondary species generated by GECKO-A to describe pinene oxidation. Discrepancies in the predicted vapour pressures were found to increase with the number of functional groups borne by the species. For semi-volatile organic compounds (i.e. organic species of interest for SOA formation), differences in the predicted Pvap range between a factor of 5 to 200 on average. The simulated SOA concentrations were compared to SOA observations in the Caltech chamber during three experiments performed under a range of NOx conditions. While the model captures the qualitative features of SOA formation for the chamber experiments, SOA concentrations are systematically overestimated. For the conditions simulated, the modelled SOA speciation appears to be rather insensitive to the Pvap estimation method. UCAR/NCAR - Library OpenSky Support PO Box 3000 Boulder CO 80307-3000 opensky@ucar.edu http://opensky.ucar.edu/ homepage pointOfContact PDF Text theme Resource Type 2016-01-01T00:00:00Z publication Copyright Author(s) 2011. This work is distributed under the Creative Commons Attribution 3.0 License. None eng geoscientificInformation