AirWare: COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSIONS VERSION 4.30, PBM DDr. Kurt Fedra Environmental Software & Services GmbH A-2352 Gumpoldskirchen AUSTRIA info@ess.co.at http://www.ess.co.at/AIRWARE 1 CAMx CAMx simulates the emission, dispersion, chemical reaction, and removal of pollutants in the troposphere by solving the pollutant continuity equation for each chemical species (l) on a system of nested threedimensional grids. 2 CAMx The Eulerian continuity equation describes the time dependency of the average species concentration (cl) within each grid cell volume as a sum of all of the physical and chemical processes operating on that volume. 3 CAMx basic structure: Where: Cl = concentration of chemical species l VH = horizontal wind vector = net vertical entrainment rate = atmospheric density K = turbulent diffusion 4 CAMx (simple version) • Regular terrain-following 3D grid, supports nesting; • Describes conservative substances, particulates and aerosols, various alternative chemistry mechanisms including complete photochemistry (ozone). 5 CAMx model grid: 2 level nesting: • 1 km master domain (240*180) • up to 9 subdomains (city level, 12-30 km at 250m) • 8 vertical layers. 6 CAMx Performance • Performance independent of the number of (gridded) sources; • Depends on: horizontal and vertical extent and resolution of the model domain, run duration • 24 hours Cyprus (240*180*8, 9 subdomains of 20*20 km 250m) conservative 3 hours • 24 hours Cyprus, ozone (CBM IV, no subdomain nesting 10 hours. 7 CAMx The Eulerian continuity equation describes the time dependency of the average species concentration (cl) within each grid cell volume as a sum of all of the physical and chemical processes operating on that volume. 8 CAMx implementation Used for scheduled runs: • Daily 24 hour forecasts (SO2, NOx, PM10) • Hourly now-casts (waiting for real-time data assimilation, nudging the initial conditions with monitoring data. 9 10 11 12 13 14 15 16 17 18 19 20 21 AirWare R5.3 PBM photochemical box model DDr. Kurt Fedra Environmental Software & Services GmbH A-2352 Gumpoldskirchen AUSTRIA info@ess.co.at http://www.ess.co.at/AIRWARE 22 PBM photochemical box model • Simple, fast and efficient numerical model for urban scale (10-100 km) photochemical smog. • Initial and boundary conditions can be taken from the daily regional ozone forecasts by CAMx. • Input data include: – Meteorology (temperature, wind speed, mixing height, insolation/cloud cover) can be taken from the MM5 weather forecasts; – Dynamic (hourly) emission data of NOx and VOC are taken from the city domain level emission scenarios 23 PBM photochemical box model Simple representation: • Variable volume (vertical movement of the mixing layer), well mixed reactive cell (box); • Transport and dispersion of pollutants through the cell; • Dynamic emission of primary precursor species; • Chemical transformations into intermediate and secondary products. 24 25 PBM photochemical box model Simulation runs: Daily forecast runs for the period from – 05:00 LST (at/around/before sunrise) – 23:00 LST (after sunset Hourly model output. Speed/efficiency of the model makes it ideal for stochastic/ensemble simulations: probability of exceedances of daily/next day ozone warning and alert levels. 26 27 PBM data requirements: Meteorology (hourly): • • • • • Date, location Wind speed Mixing height (can be simulated) Ambient air temperature Solar radiation or UV radiation (can be simulated if cloud cover is known) • Cloud cover, amount and (optional) height 28 PBM data requirements: Air Quality data: • Initial conditions (concentrations) • Boundary conditions/concentrations: upwind monitoring station ? • Observed concentrations (optional) • Hydrocarbon speciation factors for – Initial concentrations – Boundary conditions – Observed concentrations 29 PBM reactivity classes: • • • • • • • • Non-reactives (NONR) Ethylene (ETH) Olefins/alkenes, minus ethylene (OLE) Paraffins/alkanes, minus methane (PAR) Formaldehyde (FOR) Other aldehyde species (ALD) Toluene (TOL) Other aromatic species (ARO) 30 PBM data requirements: Emissions (hourly): • CO (area, point sources) • NOx (area, line, point sources) • THC (total hydrocarbon) emissions • NMHC (non-Methane compounds) • NO2/NOx ratio in emissions (0.1) • CH4/THC ratio in emissions 31 PBM model dynamics: • Mixing height growth: option to interpolate between minimum and maximum; • Photolytica rate constants: diurnal variation of photolytica rate constants based on theoretical clear-sky insolation and attenuation based on cloud cover or oberserved insolation; • Chemical kinetics: 63 reactions and 41 chemical species in 8 hydrocarbon classes (Demerjian generalized chemical kinetics) 32 PBM model governing equation: ci ci z ci Qi u Rci ,......, cn t x t z z where : ci mean concentrat ion of species i u mean wind speed Qi source emission flux R i reaction (productio n/destruct ion) rate x, z , t length (horizonta l, vertical) , time 33 PBM major assumptions: 1. Well mixed box, no significant spatial variation inside the box/surface; 2. Low wind to near stagnant conditions (< 2m/s) 3. Emission sources are homogeneously distributed within the domain; 4. Entrainment/exchange 1. laterally by advective transport 2. Vertically by rising mixing layer 5. Molecular and turbulent diffusion neglected (well mixed…) 6. Horizontal and vertical wind shear neglected. 34