APFoam-1.0: integrated CFD simulation of O₃–NO_x–VOCs chemistry and pollutant dispersion in typical street canyon

Urban air quality issues are closely related to the human health and economic development. In order to improve the resolution and numerical accuracy of urban air quality simulation, this study has developed the Atmospheric Photolysis calculation framework (APFoam-1.0), an open-source CFD code based on OpenFOAM, which can be used to examine the micro-scale reactive pollutant formation and dispersion in the urban area. The chemistry module of the newly APFoam has been modified by adding five new types of reaction, which implements the coupling with atmospheric photochemical mechanism (full O3–NOx–VOCs chemistry) and CFD model. Additionally, numerical model has been validated and shows the good agreement with wind tunnel experimental data, indicating that the APFoam has sufficient ability to study urban turbulence and pollutant dispersion characteristics. By applying the APFoam, O3–NOx–VOCs formation processes and dispersion of the reactive pollutants are analyzed in an example of typical street canyon (aspect ratio H / W = 1). Chemistry mechanism comparison shows that O3 and NO2 are underestimated while NO is overestimated if the VOCs reactions are not considered in the simulation. Moreover, model sensitivity cases reveal that 82 %–98 % and 75 %–90 % of NO and NO2 are related to the local vehicle emissions which are verified as the dominated contributors to local reactive pollutant concentration in contrast to their background conditions. Besides, a large amount of NOx emission, especially NO emission, is beneficial to reduce the O3 concentrations since NO consumes O3. Background precursors (NOx/VOCs) from boundary conditions only contribute 2 %–16 % and 12 %–24 % of NO and NO2 concentrations and raise O3 concentration by 5 %–9 %. Weaker ventilation conditions lead to accumulation of NOx and higher NOx concentration, but a lower O3 concentrations due to the stronger NO titration effect consuming O3. Furthermore, in order to reduce the reactive pollutant concentrations under the odd-even license plate policy (reduce 50 % of the total vehicle emissions), vehicle VOCs emissions should be reduced by at least another 30 % to effectively lower O3, NO and NO2 concentrations at the same time. These results indicate that the examination of the precursors (NOx/VOCs) from both traffic emissions and background boundaries is the key point for better understanding O3–NOx–VOCs chemistry mechanisms in street canyons and providing effective guidelines for the joint prevention and control of local street air pollution.