Evaluation of a detailed model of secondary organic aerosol formation from α-pinene against dark ozonolysis experiments
dc.contributor.author | Ceulemans, K. | |
dc.contributor.author | Compernolle, S. | |
dc.contributor.author | Peeters, J. | |
dc.contributor.author | Müller, J.-F. | |
dc.date | 2010 | |
dc.date.accessioned | 2016-03-31T12:16:17Z | |
dc.date.available | 2016-03-31T12:16:17Z | |
dc.identifier.uri | https://orfeo.belnet.be/handle/internal/3210 | |
dc.description | BOREAM, a detailed model for the gas-phase oxidation of α-pinene and its subsequent formation of Secondary Organic Aerosol (SOA), is tested against a large set of SOA yield measurements obtained in dark ozonolysis experiments. For the majority of experiments, modelled SOA yields are found to agree with measured yields to within a factor 2. However, the comparisons point to a general underestimation of modelled SOA yields at high temperatures (above 30 °C), reaching an order of magnitude or more in the worst cases, whereas modelled SOA yields are often overestimated at lower temperature (by a factor of about 2). Comparisons of results obtained using four different vapour pressure prediction methods indicate a strong sensitivity to the choice of the method, although the overestimated temperature dependence of the yields is found in all cases. Accounting for non-ideality of the aerosol mixture (based on an adapted UNIFAC method) has significant effects, especially at low yields. Our simulations show that the formation of oligomers through the gas-phase reactions of Stabilised Criegee Intermediates (SCI) with other molecular organic products could increase the SOA yield significantly only at very low relative humidity (below 1%). Further tests show that the agreement between model and measurements is improved when the ozonolysis mechanism includes additional production of non-volatile compounds. | |
dc.language | eng | |
dc.title | Evaluation of a detailed model of secondary organic aerosol formation from α-pinene against dark ozonolysis experiments | |
dc.type | Article | |
dc.subject.frascati | Earth and related Environmental sciences | |
dc.audience | Scientific | |
dc.subject.free | Detailed models | |
dc.subject.free | Gas phase oxidation | |
dc.subject.free | Gas-phase reactions | |
dc.subject.free | High temperature | |
dc.subject.free | Low-yield | |
dc.subject.free | Non-volatile compounds | |
dc.subject.free | Nonideality | |
dc.subject.free | Order of magnitude | |
dc.subject.free | Organic products | |
dc.subject.free | Ozonolysis | |
dc.subject.free | Prediction methods | |
dc.subject.free | Relative humidities | |
dc.subject.free | Secondary organic aerosols | |
dc.subject.free | Stabilised Criegee intermediates | |
dc.subject.free | Temperature dependence | |
dc.subject.free | Terpenes | |
dc.subject.free | UNIFAC method | |
dc.subject.free | Vapour pressures | |
dc.subject.free | Worst case | |
dc.subject.free | Yield measurement | |
dc.subject.free | Atmospheric aerosols | |
dc.subject.free | Atmospheric humidity | |
dc.subject.free | Experiments | |
dc.subject.free | Lipids | |
dc.subject.free | Olefins | |
dc.subject.free | Oligomers | |
dc.subject.free | Phase interfaces | |
dc.subject.free | Reaction intermediates | |
dc.subject.free | Volatile organic compounds | |
dc.subject.free | Ozone | |
dc.subject.free | oligomer | |
dc.subject.free | pinene | |
dc.subject.free | aerosol formation | |
dc.subject.free | atmospheric modeling | |
dc.subject.free | experimental study | |
dc.subject.free | gas phase reaction | |
dc.subject.free | high temperature | |
dc.subject.free | monoterpene | |
dc.subject.free | oxidation | |
dc.subject.free | ozone | |
dc.subject.free | polymer | |
dc.subject.free | vapor pressure | |
dc.subject.free | article | |
dc.subject.free | gas | |
dc.subject.free | high temperature | |
dc.subject.free | humidity | |
dc.subject.free | magnitude estimation method | |
dc.subject.free | ozonolysis | |
dc.subject.free | priority journal | |
dc.subject.free | secondary organic aerosol | |
dc.subject.free | simulation | |
dc.subject.free | temperature dependence | |
dc.subject.free | thermodynamics | |
dc.subject.free | vapor pressure | |
dc.source.title | Atmospheric Environment | |
dc.source.volume | 44 | |
dc.source.issue | 40 | |
dc.source.page | 5434-5442 | |
Orfeo.peerreviewed | Yes | |
dc.identifier.doi | 10.1016/j.atmosenv.2010.05.001 | |
dc.identifier.scopus | 2-s2.0-77950609365 |