Aerosol speciation and mass prediction from toluene oxidation under high NOx conditions

A kinetically based gas-particle partitioning box model is used to highlight the importance of parameter representation in the prediction of secondary organic aerosol (SOA) formation following the photo-oxidation of toluene. The model is initialized using experimental data from York University's indoor smog chamber and provides a prediction of the total aerosol yield and speciation. A series of model sensitivity experiments were performed to study the aerosol speciation and mass prediction under high NO_x conditions (VOC/NO_x = 0.2). Sensitivity experiments indicate vapour pressure estimation to be a large area of weakness in predicting aerosol mass, creating an average total error range of 70 μg m^?3 (range of 5–145 μg m^?3), using two different estimation methods. Aerosol speciation proved relatively insensitive to changes in vapour pressure. One species, 3-methyl-6-nitro-catechol, dominated the aerosol phase regardless of the vapour pressure parameterization used and comprised 73–88% of the aerosol by mass. The dominance is associated with the large concentration of 3-methyl-6-nitro-catechol in the gas-phase. The high NO_x initial conditions of this study suggests that the predominance of 3-methyl-6-nitro-catechol likely results from the cresol-forming branch in the Master Chemical Mechanism taking a significant role in secondary organic aerosol formation under high NO_x conditions. Further research into the yields and speciation leading to this reaction product is recommended.     

Occurrence of chemical pollutants in major e-waste sites in West Africa and usefulness of cytotoxicity and induction of ethoxyresorufin-O-deethylase (EROD) in determining the effects of some detected brominated flame retardants and e-waste soil-derived extracts

Environmental Science and Pollution Research - We investigated the occurrence of chemical pollutants in major e-waste sites in West Africa and usefulness of cytotoxicity and induction of...     

Evaluating a Canadian regional air quality model using ground-based observations in north-eastern Canada and United States

The simulated concentrations from a numerical 3-dimensional regional air quality model (MC2AQ) are compared to those of ground-based observations in north-eastern Canada and the United States. The model has oxidant chemistry for both inorganic and organic species and deposition routines driven online by a mesoscale compressible community meteorological model (MC2). A standard emission inventory of anthropogenic, natural and biogenic sources for the year 1990 for 21 atmospheric trace species was used in the simulation. The model was run for July 1999, because of the occurrence of a high ozone episode and the availability of the monitoring data for surface O3, SO2, NO, NO2 and NOx. The comparisons during the episode show that the model performs quite well for predicting concentrations and diurnal variations of the surface ozone. The predictions for other gaseous species show some discrepancies with observations, but they are consistent with the results from other models evaluated in the literature. The uncertainties in the emission inventory for these species might be the main causes of the discrepancies. Further studies are needed to improve the predictability of SO and NOx, especially as the model is developed to include particulate matter formation as a result of these gaseous precursors.