Modeling the chemistry of organic compounds.

Model validation

The BOREAM model has been validated against laboratory measurements for organic by-products (e.g. acetone, formaldehyde) (Capouet et al., 2004) and ozone formation Capouet et al. (2008) , although, as was also found by other recent modelling studies, descrepancies in ozone levels remain for some particular smog chamber experiments, which are not yet well-understood (Ceulemans et al.,2012).

The ability of the BOREAM model to correctly predict SOA yields was validated against a large number of dark ozonolysis smog chamber experiments in Ceulemans et al. (2010), and for photo-oxidation experiments in Capouet et al. (2008) and (Ceulemans et al.,2012). It was found that in most cases the BOREAM model SOA yields fall well within a factor 2 of the experimentally obtained yields. For some photo-oxidation experiments at low-NOx overestimations can be found, whereas in dark ozonolysis experiments at high temperature and low hydrocarbon precursor concentrations, underestimations of more than a factor 2 can occur.

Above: Comparison of modelled and experimental SOA yields for a series of alpha-pinene photo-oxidation smog chamber experiments.