environmental software and modelling group simulations with mm5-cmaq and wrf/chem models of a high...
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Environmental Software and Modelling Group http://artico.lma.fi.upm.es
Simulations with MM5-CMAQ and WRF/CHEM models of a High elevated PM10 and PM2.5 episode in Germany
during Winter, 2003
R. San José1, J. L. Pérez1, J.L. Morant1 and R.M. González2
1Environmental Software and Modelling Group Computer Science School – Technical University of Madrid (UPM)
Campus de Montegancedo – 28660 Madrid (Spain) http://artico.lma.fi.upm.es
2Department of Meteorology, Complutense University of Madrid (UCM)
Contribution to:
8th Annual CMAS Conference Friday Center, UNC-Chapel Hill
OCTOBER, 19-21, 2009, Friday Center for Continuing Education, 100 Friday Center Dr
Chapel Hill, NC 27517, United States
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
PROJECTION: Lambert Conformal Conic
Central Latitude: 50.0N Central Longitude: 10.0E
METEOROLOGICAL DOMAIN:
- MOTHER DOMAIN: 60*60 90 Km. RESOLUTION + 23 VERTICAL LEVELS
- NESTING DOMAIN: 61*61 30 Km. RESOLUTION + 23 VERTICAL LEVELS
- SIGMA VERTICAL LEVELS:1.00,0.99,0.98,0.96,0.93,0.89,0.85,0.80,0.75,0.70,0.65,0.60, 0.55,0.50,0.45,0.40,0.35,0.30,0.25,0.20,0.15,0.10,0.05,0.00
- LANDUSE DATA: USGS 24 CATEGORIES
CHEMICAL DOMAIN: - MOTHER DOMAIN: 53*53 90 Km. RESOLUTION + 23 VERTICAL LEVELS
Lower-Left Corner LCC (-2385000, -2385000)
- NESTING DOMAIN: 54*54 30 Km. RESOLUTION + 23 VERTICAL LEVELS Lower-Left Corner LCC (-765000, -765000)
DOMAINS
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
DOMAINS
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
- NCEP/NCAR Reanalysis Data (NNRP-DS090)
- Global Reanalysis Model is T62 (209 km)
- 28 vertical sigma levels.
- Data is available at 6 hour intervals
- Ptop = 10000 Pa.
- Boundary Conditions: every 6 hours.
- Grid Nudging at mother domain (90Km)
- two-way nesting (90-30 Km)
GLOBAL METEOROLOGICAL DATA
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
-Physics Options in MM5:
• Cumulus Parameterization:
Kain-Fritsch 2
• PBL Scheme and Diffusion:
MRF PBL
• Explicit Moisture Scheme :
Schultz microphysics
• Radiation Scheme:
Cloud-radiation
• Surface Scheme :
Noah Land-Surface Model
MM5 CONFIGURATION
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
SYSTEM DESCRIPTION
- MM5 PSU/NCAR Mesoscale Model. Version 3-7 (December 23 2004)
- MCIP Meteorology-Chemistry Interface Processor Version 3.3 (August 2007)
-CMAQ Community Multi-scale Air Quality Version 4.6 (Octuber 2006)
- Magerit clúster:
•1200 node (2400 processors) eServer BladeCenter JS20
• Power PC 2'2 GHz and 4 Gb de RAM
• Myrinet network
• IBM XL Fortran10.1
CMAQ PERFORMANCE 30 KM 5 DAYS
0
5
10
15
20
25
30
16 32 64 128 256
CPU´S
MIN
. CMAQ PERFORMANCE
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
BOUNDARY & INITIAL CHEMICAL CONDITIONS
- Mother domain boundary conditions: profile (fixed)
- Mother domain initial conditions (0 hours) from air clean profile .
- Nesting domain boundary conditions from mother domain
- Nesting domain initial conditions (0 hours) from air clean profile.
Air clean profile example:
6 LAYERS 1.00 0.98 0.93 0.84 0.60 0.30 0.00 POLLUTANT (PPm) "SO2 " 0.300E-03 0.200E-03 0.100E-03 0.100E-03 0.200E-04 0.100E-04"SULF " 1.000E-30 1.000E-30 1.000E-30 1.000E-30 1.000E-30 1.000E-30"NO2 " 0.167E-03 0.167E-03 0.084E-03 0.000E+00 0.000E+00 0.000E+00"NO " 0.083E-03 0.083E-03 0.042E-03 0.000E+00 0.000E+00 0.000E+00"O3 " 0.350E-01 0.350E-01 0.400E-01 0.500E-01 0.600E-01 0.700E-01"HNO3 " 0.500E-04 0.500E-04 0.500E-04 0.500E-04 0.700E-04 0.100E-03"H2O2 " 0.100E-02 0.100E-02 0.150E-02 0.100E-02 0.800E-03 0.200E-03"ALD " 0.300E-04 0.350E-04 0.300E-04 0.200E-04 0.200E-04 0.100E-04"HCHO " 0.250E-03 0.250E-03 0.250E-03 0.200E-03 0.100E-03 0.500E-04"OP1 " 0.250E-06 0.250E-06 0.250E-06 0.200E-06 0.100E-06 0.500E-07"OP2 " 0.300E-07 0.350E-07 0.300E-07 0.200E-07 0.200E-07 0.100E-07"PAA " 0.300E-04 0.300E-04 0.300E-04 0.250E-04 0.200E-04 0.150E-04
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
CMAQ-CCTM SETUP
- Advection scheme: global mass-conserving scheme (Yamartino )
- Vertical Difussion: Asymmetric Convective Model (ACM2)
- CB05 chemical mechanism (Yarwood et al. 2005).
- Euler Backward Solver (EBI) solver
- CMAQ Aerosol : The 3rd generation modal CMAQ aerosol model
- DEPOSITION MODEL: Models-3 / Pleim (MCIP)
- Aqueous/cloud chemistry ON.
- KZMIN=TRUE (in TERRAIN IEXTRA=TRUE – extra data land use -)
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
CASE 1 KZMIN
KZ : Vertical diffusivity coefficient (m2/s)
KZMIN = FALSE MINIMUN KZ = 1 m2/s
KZMIN = TRUE MINIMUN KZ = KZL + (KZU-
KZL) * UFRAC
KZL = LOWEST KZ 0.5 m2/s
KZU = HIGHEST KZ 2.0 m2/s
UFRAC = URBAN PERCENTAGE
NORMALIZED TO 1
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EMISSION DATA
- TNO-UBA Emission Data:
• SNAP Activities:
1Energy sector, utilities, refinaries
2Fossil fuels, small sources
3Fossil fuels, industry
4Process emissions
5Mining
6Solvent use, use of products
7Road transport (SO2 only)
71Road transport gasoline 72Road transport diesel 73Road transport LPG
741)Road transport non-exhaust (volatilization)
752)Road transport non-exhaust (tire, break and road wear)
8Non-road transport
9Waste processing1
10Agriculture
• Geographic coordinates.
• Cell Size is 1/4 degree (Y) by 1/8 degree (X) (aprox. 15 km)
• Pollutans: CH4, CO, NH3, NMVOC, NOx, SO2, PM10, PM2.5
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
EMISSION DATA
- Mother Domain include EDGAR (Emission Database for Global Atmospheric Research) :
* Geographic coordinates. * Cell Size is 1 degree by 1 degree * Pollutans: CO, NMVOC, NOx, SO2
Global N2O emissions 1995*
6%
23%
5%
12%
22%
3%
16%
3%
1%1%1%
1%
2%
F10-INDUSTRIAL SECTOR V3+F20-POWER GENERATION V3F30-OTS (ALL) V3F40-RCO SECTOR(RES+COM+OTH) V3F51-ROAD TRANSP.(INCL. EVA) V3F54-TRANS. LAND NON-ROAD V3F57-AIR (ALL) V3F58-INTERN. SHIPPING V3F80-OIL PROD/(TRANSM)/HANDL V3B10-INDUSTRY V3B20-POWER GENERATION V3B30-CHARCOAL PRODUCTION V3B40-RCO: RESIDENTIAL V3B51-ROAD TRANSPORT (ETH.) V3I30: CHE: CHEMICALS V3I79: SOL-OTHER SOLV./MISC. N2OL10-ARABLE LAND (FERT. USE)L30-AN. WASTE MAN. (CONF. N2O)L41-BB-DEFORESTATION(DIR.EFF.)L42-BB-SAVANNA BURNINGL43-BB-AGRIC. WASTE BURNINGL44-BB-VEGETATION FIRES(TEMP.)L45-BB-POST BURN EFF.(CO2+N2O)L50-CROP PRODUCTION (N) (ALL)L60-AN. WASTE (DEP.2 SOIL N2O)L71-ATMOSPHERIC DEPOSITION-ALLL75-LEACHING AND RUN-OFF (ALL)W21-WWT-INDUSTRIAL WWW39-HWWD: SEWAGE DISCHARGEW40-WASTE INCINER.(NON-ENERGY)
Source: EDGAR 3.2, 2002* Only legend values 1 % or > are show n
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
EMISSION DATA
Geographic coordinates TO Lamber Conformal Conic CMAQ grid:
* EMEP interpolation routine updated by UPM. (geog >>> lambert) (original polar >>> geog km (50))
-Time distribution of EURODELTA
VOC SPLITING:* SPECIATE Version 4.0 (EPA, US) (January 18, 2007):
. 1594 compounds
. VOC-to-TOG Conversion Factors
* Lumping VOC :. EMITDB – Carter (Development of an Improved
Chemical Speciation Database for Processing Emissions of
Volatile Organic Compounds for Air Quality Models )
Data Base >>>>> Excel file
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
CMAQ – EMISSION – TIME DISTRIBUTION
EURODELTA DAILY FACTORS MISSING COUNTRIES:
Albania, Croatia, Bosnia, Serbia BulgariaTurkey HungaryBelarus, Ukraine, Moldova, Russian RomaniaGermany Federal Republic Germany
MONTHLY FACTORS MISSING COUNTRIES
Czech Republic Slovakia
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
EMISSION: VOC SPLITING (EMIMO >>>> CMAQ)
CB04 VOC SPLITING
PAR OLE TOL XYL FORM ALD2 ETH ISOP
MEOH ETOH UNR
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VOC SPLITING (EMIMO >>>> CMAQ)
CB05 VOC SPLITING
PAR OLE TOL XYL FORM ALD2 ETH ISOP
MEOH ETOH CH4 ETHA IOLE ALDX TERP UNR
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
VOC SPLITING (EMIMO >>>> WRF/CHEM)
CBMZ VOC SPLITING
ETH HC3 HC5 HC8 OL2 OLT OLI
TOL XYL HCHO ALD KET ISO CSL
MEOH ETOH ORA2 NR
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
BIOGENIC & DUST EMISSION DATA: BIOEMI-UPM
(EMIMO >>>> CMAQ)
- Biogenic Outputs: Isoprene, biogenic NOX and biogenic VOC- Biogenic Inputs: Land uses USGS 24 categories
Temperature On-Line (MM5 Output)
- Dust Outputs: PM- Dust Inputs: Land uses Land uses USGS 24 categories to 5 categories
Wind Speed 10 m On-Line (MM5 Output) Rain / Snow (No Dust) On-Line (MM5 Output)
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
BIOGENIC & DUST EMISSION DATA: BIOEMI-UPM
Environ, 1998
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WRF-CHEM DOMAIN
90 KM
30 KM
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From Grell et al. (2007)
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
• Cumulus Parameterization:
GRELL-DEVENYI ENSEMBLE SCHEME
• PBL Scheme and Diffusion:
YONSEI UNIVERSITY (YSU PBL)
• Explicit Moisture Scheme :
LIN et al.SCHEME microphysics VERSION 1
WSM (WRF single-moment ) 5-class microphysics VERSION2
• Radiation Scheme:
RRTM – Goddard radiation VERSION 1
RRTM - Dudhia radiation VERSION 2
• Surface Scheme :
Noah Land-Surface Model
• Cloud Chemistry::
ON VERSION 1 OFF VERSION 2
• Photolisis: FTUV Version 1 FAST-J Version 2
• Biogenic model: Gunther scheme
• Chemistry: CBMZ+MOSAIC (4 sectional aerosol bin)
WRF/Chem CONFIGURATION
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
DAILY FACTORS (MISSING COUNTRIES):
Albania, Croatia, Bosnia, Serbia Bulgaria
Turkey Hungary
Belarus, Ukraine, Moldova, Russian Romania
Germany Federal Republic Germany
MONTHLY FACTORS MISSING COUNTRIES
Czech Republic Slovakia
VOC TO TOC FACTOR: 3.2
CLOUD CHEMISTRY ON AND OFF
Time profiles
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
MM5-CMAQ30 KM SP. RES.GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.EDGAR EMISS.
PM10 DAILY AVERAGESAND STATION AVERAGES
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
MM5-CMAQ30 KM SP. RES.GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.EDGAR EMISS.
PM2.5 DAILY AVERAGESAND STATION AVERAGES
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
MM5-CMAQ30 KM SP. RES.GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.EDGAR EMISS.
EC DAILY AVERAGESAND STATION AVERAGES
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
EURODELTA DAILY FACTORS MISSING COUNTRIES
+
KZMIN=TRUE
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
EURODELTA DAILY FACTORS MISSING COUNTRIES
+
KZMIN=TRUE
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
EURODELTA DAILY FACTORS MISSING COUNTRIES
+
KZMIN=TRUE
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
KZMIN = TRUE KZMIN = FALSEPM10
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KZMIN = TRUE KZMIN = FALSEPM25
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KZMIN = TRUE KZMIN = FALSEEC
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DAILY EMISSION FACTOR OK NO DAILY EMISSION FACTORPM10
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WRF-CHEM30 KM SP. RES. (global >>>30)GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.
PM10 DAILY AVERAGESAND STATION AVERAGES
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
WRF-CHEM30 KM SP. RES. (global >>>30)GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.
PM2.5 DAILY AVERAGESAND STATION AVERAGES
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
WRF-CHEM30 KM SP. RES. (global >>>30)GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.EDGAR EMISS.
EC DAILY AVERAGESAND STATION AVERAGES
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
MM5-CMAQ AVG STATION PM10 PM25 EC OC NO3 NH4 SO4 NO2 SO2 NH3 O3
Observed mean 32.55 24.26 3.10 3.00 7.44 3.87 4.85 15.56 4.07 3.11 52.00
Calculated mean/Obs. mean 0.90 1.00 1.29 1.96 0.63 0.54 0.25 1.28 0.46 0.10 1.04
Observed STD 18.55 15.85 3.21 2.56 4.12 2.75 3.41 6.05 3.19 1.56 13.48
Calculated STD/Obs. STD 0.74 0.75 0.62 1.28 0.97 0.67 0.24 1.67 0.41 0.28 1.01
Bias -3.40 0.01 0.87 2.82 -2.78 -1.75 -3.63 4.38 -2.20 -2.79 1.91
Absolute Bias 8.21 8.11 1.95 3.22 3.65 2.16 3.63 6.88 2.47 2.79 7.45
R2 0.72 0.45 0.29 0.35 0.38 0.31 0.44 0.35 0.12 0.07 0.60
RMSE 10.46 11.71 2.80 3.90 4.50 2.89 4.65 9.22 3.70 3.17 9.21
RMSE/Observed Mead 0.32 0.48 0.90 1.30 0.60 0.75 0.96 0.59 0.91 1.02 0.18
Percentage within +/- 50 90.00 72.50 35.00 17.50 41.25 37.50 7.50 67.50 43.75 1.25 98.75
No of Data Sets 1440 240 80 80 400 80 400 80 80 400 1200
MM5-CMAQ: STATISTICAL RESULTS
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WRF-CHEM AVG STATION PM10 PM25 EC OC NO3 NH4 SO4 NO2 SO2 NH3 O3
Observed mean 32.55 24.26 3.10 3.00 7.44 3.87 4.85 15.56 4.07 3.11 52.00
Calculated mean/Obs. mean 1.13 1.39 0.78 1.33 2.01 1.34 0.15 2.74 2.94 0.24 0.50
Observed STD 18.55 15.85 3.21 2.56 4.12 2.75 3.41 6.05 3.19 1.56 13.48
Calculated STD/Obs. STD 0.93 1.08 0.42 0.96 2.46 1.31 0.16 2.39 2.47 0.50 0.74
Bias 4.30 9.46 -0.65 0.96 7.52 1.29 -4.10 27.01 7.91 -2.35 -25.99
Absolute Bias 7.88 11.51 1.41 1.46 7.57 2.25 4.10 27.03 7.95 2.42 25.99
R2 0.73 0.58 0.57 0.56 0.76 0.42 0.53 0.25 0.42 0.11 0.44
RMSE 10.67 14.95 2.41 2.00 10.13 3.04 5.09 29.78 10.08 3.04 27.87
RMSE/Observed Mead 0.33 0.62 0.78 0.66 1.36 0.79 1.05 1.91 2.48 0.98 0.54
Percentage within +/- 50 75.00 48.75 58.75 46.25 22.50 50.00 0.00 7.50 6.25 35.00 42.50
No of Data Sets 1440 240 80 80 400 80 400 80 80 400 1200
WRF/CHEM: STATISTICAL RESULTS
Environmental Software and Modelling Group http://artico.lma.fi.upm.es
MM5-CMAQ & WRF-CHEM
R2 PM10 PM25 EC OC NO3 NH4 SO4 NO2 SO2 NH3 O3
MM5-CMAQ 0.72 0.45 0.29 0.35 0.38 0.31 0.44 0.35 0.12 0.07 0.60WRF/CHEM 0.73 0.58 0.57 0.56 0.76 0.42 0.53 0.25 0.42 0.11 0.44
Calculated mean/Obs. mean PM10 PM25 EC OC NO3 NH4 SO4 NO2 SO2 NH3 O3
MM5-CMAQ 0.90 1.00 1.29 1.96 0.63 0.54 0.25 1.28 0.46 0.10 1.04
WRF/CHEM 1.13 1.39 0.78 1.33 2.01 1.34 0.15 2.74 2.94 0.24 0.50
Percentage within +/- 50 PM10 PM25 EC OC NO3 NH4 SO4 NO2 SO2 NH3 O3
MM5-CMAQ 90.00 72.50 35.00 17.50 41.25 37.50 7.50 67.50 43.75 1.25 98.75
WRF/CHEM 75.00 48.75 58.75 46.25 22.50 50.00 0.00 7.50 6.25 35.00 42.50
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CASE 2
O3 HOURLY VALUES
AVERAGE STATION FROM 125 EUROPEAN BACKGROUND STATIONS
(COST602)
MM5-CMAQ
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CASE 2
O3 HOURLY VALUES
AVERAGE STATION FROM 125 EUROPEAN BACKGROUND
STATIONS
WRF/Chem (VOC TO TOC 1.14)
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CASE 2
O3 HOURLY VALUES
AVERAGE STATION FROM 125 EUROPEAN BACKGROUND
STATIONS
WRF/Chem (VOC TO TOC 1.6)
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CASE 2 MM5-CMAQ
KZMIN = TRUE KZMINFALSE - KZMINTRUE
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CASE 1: CPU TIMES
WRF-CHEM 90 918 minutesWRF-CHEM 30 1490 minutesMM5_90_30 136 minutesCMAQ 90 553 minutesCMAQ 30 652 minutes
TOTAL CPU TIME: MM5-CMAQ >>>>>> 1341 MINUTESTOTAL CPU TIME: WRF-CHEM >>>>>> 2408 MINUTES
MAGERIT SUPERCOMPUTER 32 PROCESSORS, Power PC, 2'2 GHz and 4 Gb de RAM
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CONCLUSIONS
•KZMIN AND EMISSION TIME PROFILES HAVE IMPROVED SUBSTANTIALLY THE RESULTS
• THE NEW VONFIGURATION OF WRF/CHEM HAS IMPROVED SUBSTANTIALLY THE CONCENTRATION RESULTS
• WRF/CHEM IS BETTER THAN MM5-CMAQ FOR PM10 AND PM2.5 CONCENTRATIONS
• MM5-CMAQ IS BETTER THAN WRF/CHEM FOR OZONE CONCENTRATIONS
• MM5-CMAQ IS HARDLY REPRODUCING THE HIGHEST PM10 AND PM2.5 PEAKS (FEBRUARY AND MARCH, 2003)
• WRF/CHEM IS MUCH MORE SENSITIVE THAN MM5-CMAQ AND CAPTURE THE HIGHEST PEAKS (FEBRUARY AND MARCH) MUCH BETTER THAN MM5-CMAQ
Acknowledgements: COST728 EU PROGRAMME