Simulations with MM5-CMAQ and WRF/CHEM models of a

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

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

- 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

-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

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

16 32 64 128 256

CPU´S

. CMAQ PERFORMANCE

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

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 -)

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

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

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*

1%1%1%

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

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

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

EMISSION: VOC SPLITING (EMIMO >>>> CMAQ)

CB04 VOC SPLITING

PAR OLE TOL XYL FORM ALD2 ETH ISOP

MEOH ETOH UNR

VOC SPLITING (EMIMO >>>> CMAQ)

CB05 VOC SPLITING

PAR OLE TOL XYL FORM ALD2 ETH ISOP

MEOH ETOH CH4 ETHA IOLE ALDX TERP UNR

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

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)

BIOGENIC & DUST EMISSION DATA: BIOEMI-UPM

Environ, 1998

WRF-CHEM DOMAIN

From Grell et al. (2007)

• 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

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

MM5-CMAQ30 KM SP. RES.GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.EDGAR EMISS.

PM10 DAILY AVERAGESAND STATION AVERAGES

PM2.5 DAILY AVERAGESAND STATION AVERAGES

EC DAILY AVERAGESAND STATION AVERAGES

EURODELTA DAILY FACTORS MISSING COUNTRIES

KZMIN=TRUE

KZMIN = TRUE KZMIN = FALSEPM10

KZMIN = TRUE KZMIN = FALSEPM25

KZMIN = TRUE KZMIN = FALSEEC

DAILY EMISSION FACTOR OK NO DAILY EMISSION FACTORPM10

WRF-CHEM30 KM SP. RES. (global >>>30)GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.

PM10 DAILY AVERAGESAND STATION AVERAGES

WRF-CHEM30 KM SP. RES. (global >>>30)GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.

PM2.5 DAILY AVERAGESAND STATION AVERAGES

WRF-CHEM30 KM SP. RES. (global >>>30)GERMANYJAN-APR, 2003TNO 15 KM EMISSIONSCAFÉ-DELTA TIME EMISS.PROFILES.EDGAR EMISS.

EC DAILY AVERAGESAND STATION AVERAGES

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

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

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

CASE 2

O3 HOURLY VALUES

AVERAGE STATION FROM 125 EUROPEAN BACKGROUND STATIONS

(COST602)

MM5-CMAQ

CASE 2

O3 HOURLY VALUES

AVERAGE STATION FROM 125 EUROPEAN BACKGROUND

STATIONS

WRF/Chem (VOC TO TOC 1.14)

CASE 2

O3 HOURLY VALUES

AVERAGE STATION FROM 125 EUROPEAN BACKGROUND

STATIONS

WRF/Chem (VOC TO TOC 1.6)

CASE 2 MM5-CMAQ

KZMIN = TRUE KZMINFALSE - KZMINTRUE

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

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

Simulations with MM5-CMAQ and WRF/CHEM models of a

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