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Sparse Matrix Operator Kernel Emissions SMOKE Modeling System. version 1.3 TRAINING Training Overview. Emissions processing basics SMOKE basics SMOKE scripts SMOKE programs and options. Overview lab SMOKE inventory lab SMOKE monthly lab

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Sparse Matrix Operator Kernel Emissions SMOKE Modeling System

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    1. Sparse Matrix Operator Kernel Emissions SMOKE Modeling System version 1.3 TRAINING

    2. Training Overview • Emissions processing basics • SMOKE basics • SMOKE scripts • SMOKE programs and options • Overview lab • SMOKE inventory lab • SMOKE monthly lab • SMOKE daily lab • Quality assurance lab • SMOKE problem solving

    3. About This Training • Specific to UNIX • Run SMOKE from scripts

    4. Emissions Data Processing • Source categories • Definitions • Area emissions processing • Point emissions processing • Mobile emissions processing • Biogenic emissions processing • Merging • Quality assurance

    5. Source Categories (1) • Area source characteristics • Country, state, county • Source category code (SCC) • Point source characteristics • Country, state, county, and… • Facility, stack, device, process (EMS-95) OR • Plant, stack, point, segment, SCC (NET/IDA or EPS)

    6. Source Categories (2) • Mobile source characteristics • Country, state, county • Road type (e.g., rural interstate, urban local) • Vehicle type (e.g., light duty gasoline vehicles) • Link ID (optional) • Biogenic source characteristics • Country, state, county • Landuse type OR • Grid cell • Landuse type

    7. Definitions (1) • Inventory pollutant: A compound or group of compounds defined for record keeping and regulatory purposes (e.g. CO, NOx, VOC, PM10) • Species: A compound or group of compounds defined as part of the estimation of air chemistry in an air quality model (e.g., CO, NO, NO2, PAR, ECC) • Chemical mechanism: A set of chemical species and their interactions used to represent air chemistry (e.g., CB-IV, RADM, SAPRAC)

    8. Definitions (2) • Map projection: The mathematical representation of the spherical surface of the earth in 2-d • Model grid: A 2-d grid based on a map projection, defined by starting coordinates, number of grid cells in each direction, and the physical size of the grid cells • Model layers: Vertical spatial divisions defined by an air quality model because the atmosphere has varied characteristics in the vertical direction

    9. Western 36-km cell domain for training:

    10. Definitions (3) • Profile data: Factors used for disaggregating emissions data as is done during chemical speciation or temporal allocation • Cross-reference: A dataset used for matching sources in the emissions inventory with profile data based on the source characteristics • Gridding surrogate: A dataset developed from data at a finer resolution than the emissions, used to spatially allocate the emissions to the grid cells (e.g., population, housing, agricultural regions)

    11. Definitions (4) • Plume rise: The rising of the exhaust from point sources due to the velocity and temperature of the exhaust gases • Elevated source: A point source in which emissions are higher than the first model layer because of plume rise • Plume-in-grid: A special treatment of elevated sources by which the plume rise is modeled with extra detail by the air quality model

    12. Definitions (5) • Spatial allocation:Convert the source spatial extent to the grid cell resolution needed by the air quality model • Chemical speciation:Convert the inventory pollutant data to the chemical species needed by the air quality model • Temporal allocation:Convert the inventory temporal resolution to the hourly temporal resolution needed by the air quality model

    13. Area Emissions Processing • Import data • Spatial allocation • Allocation of county emissions into grid cells using spatial surrogate • Chemical speciation • Temporal allocation • Approach also applied to “mobile” sources: road dust and non-road mobile sources

    14. Point Emissions Processing • Import, chemical speciation, temporal, plus... • All emissions for a source in single grid cell • Use day-specific and hour-specific inventory data • Determine elevated sources and plume-in-grid (PinG) sources • Special processing and output for elevated and PinG sources • Create 3-d emissions file + optional PinG emissions files OR • Create special elevated (PinG optional) + 2-d emissions file • Meteorology based

    15. Mobile Emissions Processing (1) • Import, chemical speciation, temporal, plus... • Possibly start with vehicle miles traveled (VMT) instead of emissions • Create emission factors based on meteorology • Emission factors model such as MOBILE5 • Gridded hourly or average meteorology • Emissions = Emission factor  VMT • Spatial allocation may include link sources

    16. Mobile Emissions Processing (2) • Emission factors typically depend on emissions process (e.g., exhaust, evaporative, diurnal) • Temporal allocation and speciation may depend on emissions process • Approach only for on-road mobile sources

    17. Biogenic Emissions Processing • Typically created by BEIS2 emissions model • About 120 landuse types • Landuse types have emission factors which are adjusted by gridded temperature and solar radiation • Winter and summer emission factors • If landuse is county total, then use gridding surrogate

    18. Merging and Formatting • Combining steps taken for a given source category to create model-ready formatted files (e.g., combine import, gridding, speciation, temporal allocation steps) • Combine multiple source categories into a single data set (e.g., combine area, biogenics, mobile, and point) • Output correct units, species, time steps, grid projection, and file format for the air quality model of interest

    19. Quality Assurance • Compare emissions totals from emissions processor with inventory totals • By state, county, SCC, combinations, other • Compare emissions totals at each stage of the processing • Ensure input file formats are correct • Ensure no significant errors or warnings in processing • Compare emissions among states and counties • Compare emission ratios to ambient measurement ratios

    20. SMOKE Basics • Capabilities • Programs • Dataflows • Concepts • Shared details of programs • Assigns file • Environment variables for naming files and directories

    21. CapabilitesData Import • Formats • EMS-95: area, mobile (fixed-column or not), point, and hour- specific point • IDA: area, mobile, and point • EPS2: (AFS/AMS): area, point, and period-specific point • BEIS and BEIS2: county and gridded landuse • Gridded I/O API data as area source • User-selected pollutants • 16-character pollutant name limit • Maximum numbers allowed depends on source category • Area: 19 • Mobile: 54 • Point: 15

    22. CapabilitesSpatial Allocation • Input coordinates: Lat-lon or UTM • Output projections: Lat-lon, Lambert, UTM • Any number and size of cells • Area: apply gridding surrogates or map grid cells for pre-gridded data • Biogenic: import gridded or county landuse • Mobile: apply gridding surrogates or map link sources to grid • Point: assign point location to grid cell

    23. CapabilitesChemical Speciation • User-selected species (up to 120) • CB-IV and RADM mechanisms installed by default • Particulate splits • 16-character species name limit • SMOKE outputs all species in profile file that match inventory pollutants • Both mole-based and mass-based speciation matrices

    24. CapabilitesTemporal Allocation • Supports monthly, weekly, and diurnal profiles • Different diurnal permitted for each day of the week • Can use ozone-season or annual-average inventory data from IDA inventory • Point sources can use day- and hour-specific data • Biogenic based on gridded meteorology • Mobile emission factors can be based on gridded temperature (to be used with VMT) • Automatic accounting for holidays

    25. CapabilitiesGrowth and Control • SMOKE imports growth factors to create a growth matrix • Growth matrix is applied to the inventory • SMOKE imports control factors to create several control matrices • Control matrices are applied during the final merge or to the inventory • Multiplicative, additive, and reactivity controls

    26. CapabilitesBiogenic Source Processing • Released version supports BEIS2 science with 120 landuse types • SMOKE-BEIS3 is being released with SMOKE v1.4 • BELD3 data has 230 landuse types • New emission factors for all 230 landuse types • Modified light attenuation algorithm for calculating ISOP emissions • Supports CB-IV and RADM2 mechanisms • NOx and VOC

    27. CapabilitesMobile Source Processing • Can import VMT, other activity data, or emissions • Can optionally import gridded emissions • Can drive MOBILE5b for large regions based on gridded temperature • Can use different speeds at different hours • Temperature used can be at ground, layer-1, or 1.5 meters • Can run VMT for CO, NOx, VOC, SO2, NH3, PM10, and PM2.5, and toxics • Can customize road types and vehicle types

    28. CapabilitiesPoint Source Processing • Day-specific and hour-specific data permitted by pollutant • Customizes source definition based on inventory type (EMS-95, IDA/NET, EPS) • Options for elevated sources: • UAM-style with separate emissions file; AQM computes plume rise • All sources potentially elevated - SMOKE computes plume rise • Major/Minor sources - SMOKE computes plume rise for major sources • PinG sources - SMOKE outputs special file to support PinG for CMAQ and MAQSIP • Output for UAM-style elevated emissions

    29. CapabilitiesQuality Assurance • Smkreport program • SMKMerge program optionally outputs state and county total emissions • Mass speciation matrix is used • Can specify units for output • Can compare totals from different merges: • Inventory-grid • Hourly-grid • Inventory-species-grid • Built in file format and file quality checks • PAVE comparisons


    31. SMOKE Dataflows (1) Land use Data BiogenicProcessing HourlyEmissions MobileProcessing Model-ReadyEmissions Meteorology Data Matrices MergeProcessing AreaProcessing EmissionsReports Emissions Inventories PointProcessing Hourly LayerFractions

    32. SMOKE Dataflows (2) Emissions Inventories Meteorology Data HourlyEmissions TEMPORAL Profiles andX-refs SpeciationMatrix SPCMAT SMOKEInventory SMKINVEN GriddingMatrix GRDMAT AQMSpecs ControlData ControlMatrix CNTLMAT

    33. Other Processing Paradigms Model ReadyEmissions LoadInventory Growth and Controls Speciation TemporalAllocation Gridding SMOKE Processing Paradigm TemporalAllocation Growth and Controls Model ReadyEmissions LoadInventory Merge Speciation Gridding

    34. SMOKE for Additional Control Strategies Model ReadyEmissions Growth and Controls Merge SMOKE for Additional Grids (for non-mobile sources that do not use VMT) Model ReadyEmissions Gridding Merge SMOKE for Additional Grids (for mobile sources that do use VMT) Model ReadyEmissions Gridding EmissionFactors TemporalAllocation Merge

    35. Shared Details of SMOKE Programs (1) • Sources must be uniquely defined based on SMOKE source characteristics • Sources are sorted in particular order • Inventory vectorsAdjustment factors matricesvectors x matrices model-ready emissions • I/O API • Library: SMOKE uses the I/O API library to create intermediate and output files. The files are NetCDF files, which means that they are binary, direct access, and platform-independent. • Tools: The I/O API tools can be used to manipulate I/O API files (e.g., extract a “window” from a gridded dataset).

    36. Shared Details of SMOKE Programs (2) • All programs output log files • Most programs process multiple source categories • All programs process only one source category at a time (Smkmerge and Mrggrid are exceptions) • Environment variables are used to name files and directories • “Logical file names” • Are environment variables • e.g., program uses OUTFILE for its output filesetenv OUTFILE myoutputfile.ncf

    37. Shared Details of SMOKE Programs (3) • Environment variables also control programs • SMK_SOURCE: Set to A, B, M, or P to control source category • LOGFILE: Set to a file name to record the standard output of informational, error, and warning messages • PROMPTFLAG: Y/N to control interactive or batch mode • SMK_MAXERROR: Maximum number of errors • SMK_MAXWARNING: Maximum number of warnings

    38. Assigns File • Purpose: To set directory names and file names for a case • For running SMOKE from the prompt or from scripts, and navigating directories • Three types of environment variables: • Part of file names or directories • Correspond to a particular directory • Correspond to a particular file • To use:> cd $SMKROOT/assigns > source ASSIGNS.train.cb-iv.va12

    39. Environment Variables Used inFile and Directory Names E.V. Name Description INVID Name of the inventory input directory (no version) INVEN Name of the inventory, including version INVOP Name for the inventory output files ESCEN Name of the scenario/strategy currently being modeled BSCEN Name of the biogenics scenario being used MSCEN Name of the meteorology scenario being used GRID Name of the grid SPC Name of chemical speciation type ESDATE Starting date of the emissions files and simulation MSDATE Starting date of the meteorology files NDAYS Number of days being simulated per program run MDAYS Number of days in the meteorology file YEAR Year of the scenario being simulated

    40. Environment Variablesfor Controlling Episode E.V. Name Description G_STDATE Julian start date (YYYYDDD) G_STTIME Start time in output time zone (HHMMSS) G_RUNLEN Duration (HHMMSS) G_TSTEP Time step (HHMMSS) - only 10000 will work OUTZONE Output time zone number (0-23) EF_YEAR Emission factor year

    41. Input Directories E.V. Name Description Example/ Default Value SMKROOT SMOKE system main directory $EDSS_ROOT/subsys/smokev1 SMKDAT SMOKE system main directory $EDSS_ROOT/data/smoke INVDIR Inventory input directory $SMKDAT/inventory/$INVID GE_DAT General data directory (e.g., profiles) $SMKDAT/ge_dat METDAT Meteorology data directory $EDSS_ROOT/data/met/$MSCEN * ARDAT Area inventory input data $INVDIR/area BGDAT Biogenic input data $INVDIR/biog MBDAT Mobile inventory input data $INVDIR/mobile PTDAT Point inventory input data $INVDIR/point * Meteorology data often varies at the preference of the user. This is controlled by user’s setting their Assigns file

    42. Output Directories E.V. Name Description Example/ Default Value INVOPD Inventory output directory $SMKDAT/inventory/$INVOP SCENARIO Scenario-specific, time dep output dir $SMKDAT/run_$ESCEN/$ESDATE STATIC Scenario-specific output dir $SMKDAT/run_$ESCEN/static BASSCN Episode-specific, time dep output dir $SMKDAT/run_$INVEN/$ESDATE BASDIR Episode-specific output dir $SMKDAT/run_$INVEN/static OUTPUT Final output directory $SCENARIO/output/$SPC REPORTS Reports base directory $SMKDAT/reports REPSCEN Scenario-specific, time dep reports dir $REPORTS/$ESCEN/$ESDATE REPSTAT Scenario-specific, reports dir $REPORTS/$ESCEN/static REPINVEN Inventory, time dependent reports dir $REPORTS/$INVOP/$ESDATE REPINVST Inventory reports dir $REPORTS/$INVOP/static

    43. Benefits of SMOKE • Processing is much faster than other systems • Parallel processing paradigm • Fast multi-grid processing • Fast control strategy processing • Fast multi-chemical mechanism processing • Fast mutiple formats output (for different AQMs) • Minimal redundant data storage for decreased file size • Machine-independent binary file formats (IO/API NetCDF) • No third party software • No grid or inventory size limits • Processing for ozone and particulate modeling • BEIS-2 with gridded or county land use data • Output for CMAQ, MAQSIP, UAM-V, CAMx, modified UAM-AERO, REMSAD