In this article we describe the implementation of an online-coupled gas-phase chemistry model in the turbulence-resolving PALM model system 6.0 (formerly an abbreviation for Parallelized Large-eddy Simulation Model and now an independent name). The new chemistry model is implemented in the PALM model as part of the PALM-4U (PALM for urban applications) components, which are designed for application of the PALM model in the urban environment (Maronga et al., 2020). The latest version of the Kinetic PreProcessor (KPP, 2.2.3) has been utilized for the numerical integration of gas-phase chemical reactions. A number of tropospheric gas-phase chemistry mechanisms of different complexity have been implemented ranging from the photostationary state (PHSTAT) to mechanisms with a strongly simplified volatile organic compound (VOC) chemistry (e.g. the SMOG mechanism from KPP) and the Carbon Bond Mechanism 4 (CBM4; Gery et al., 1989), which includes a more comprehensive, but still simplified VOC chemistry. Further mechanisms can also be easily added by the user. In this work, we provide a detailed description of the chemistry model, its structure and input requirements along with its various features and limitations. A case study is presented to demonstrate the application of the new chemistry model in the urban environment. The computation domain of the case study comprises part of Berlin, Germany. Emissions are considered using street-type-dependent emission factors from traffic sources. Three chemical mechanisms of varying complexity and one no-reaction (passive) case have been applied, and results are compared with observations from two permanent air quality stations in Berlin that fall within the computation domain. Even though the feedback of the model's aerosol concentrations on meteorology is not yet considered in the current version of the model, the results show the importance of online photochemistry and dispersion of air pollutants in the urban boundary layer for high spatial and temporal resolutions. The simulated NOx and O-3 species show reasonable agreement with observations. The agreement is better during midday and poorest during the evening transition hours and at night. The CBM4 and SMOG mechanisms show better agreement with observations than the steady-state PHSTAT mechanism.

Street vegetation has been found to have both positive and negative impacts on pedestrian-level air quality, but the net effect has remained unclear. In this study, the effect of street trees on aerosol mass (PM10 and PM2.5) and number in a boulevard-type street canyon with high traffic volumes in Helsinki is examined using the large-eddy simulation model PALM. Including a detailed aerosol module and a canopy module to comprise permeable trees, PALM allows to examine the effect of street trees in depth. The main aim is to understand the relative importance of dry deposition and the aerodynamic impact of street trees on the different aerosol measures at pedestrian-level and to find a suitable street-tree layout that would minimise the pedestrian-level aerosol particle concentrations over the boulevard pavements. The layout scenarios were decided together with urban planners who needed science-based knowledge to support the building of new neighbourhoods with boulevard-type streets in Helsinki. Two wind conditions with wind being parallel and perpendicular to the boulevard under neutral atmospheric stratification are examined. Adding street trees to the boulevard increases aerosol particle concentrations on the pavements up to 123%, 72% and 53% for PM10, PM2.5 and total number, respectively. This shows decreased ventilation to be more important for local aerosol particle concentrations than dry deposition on vegetation. This particularly for PM10 and PM2.5 whereas for aerosol number, dominated by small particles, the importance of dry deposition increases. Therefore the studied aerosol measure is important when the effect of vegetation on pedestrian-level air quality is quantified. Crown volume fraction in the street space is one of the main determining factors for elevated mass concentrations on the pavements. The lowest pedestrian-level mass concentrations are seen with three rows of trees of variable height, whereas the lowest number concentrations with four rows of uniform trees. The tree-height variation allows stronger vertical turbulent transport with parallel wind and largest volumetric flow rates with perpendicular wind. Introducing low (height <1 m) hedges under trees between the traffic lanes and pavements is found to be a less effective mitigation method for particle mass than introducing tree-height variability, and for particle number less effective than maximising the tree volume in the street canyon. The results show how street trees in a boulevard-type street canyon lead to decreased pedestrian-level air quality with the effect being particularly strong for larger aerosol particles. However, with careful planning of the street vegetation, significant reductions in pedestrian-level aerosol particle concentrations can be obtained.