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EPA’s 2002 Multi-Pollutant EPA’s 2002 Multi-Pollutant Platform: Platform: Model Applications and Model Applications and Evaluation of Ozone, Particulate Evaluation of Ozone, Particulate Matter, and Toxics Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips, Madeleine Strum, Norm Possiel, Carey Jang, Pat Dolwick, Brian Timin, Karen Wesson, Marc Houyoux, Rich Mason, Kai Wang and Tyler Fox 6 th Annual CMAS Conference – October 1- 3, 2007
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Page 1: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

EPA’s 2002 Multi-Pollutant Platform:EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Model Applications and Evaluation of Ozone, Particulate Matter, and ToxicsOzone, Particulate Matter, and Toxics

OAQPS / AQAD / AQMG & EIAG

Sharon Phillips, Madeleine Strum, Norm Possiel, Carey Jang, Pat Dolwick, Brian Timin, Karen Wesson, Marc

Houyoux, Rich Mason, Kai Wang and Tyler Fox

6th Annual CMAS Conference – October 1-3, 2007

Page 2: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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OutlineOutline• Introduce concept of a modeling platform

• Introduce 2002 modeling platform and components– Criteria Air Pollutants Only “CAP-only”– Criteria Air Pollutants + Hazardous Air Pollutants

“CAP+HAP”

• Initial Model Evaluation CAP-only

• Initial look at differences in CAP-only vs CAP+HAP results

Page 3: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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What is a “Modeling Platform”?What is a “Modeling Platform”?

• Structured system of connected modeling-related tools and data that provide a consistent and transparent basis for assessing the air quality response to changes in emissions and/or meteorology

Page 4: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 Modeling Platform Overview2002 Modeling Platform Overview• CAP-only with CMAQ 4.6.1i Base Model, cb05, without Chlorine

• 2002 NEI – Criteria pollutants only• Ozone, PM• Some CB05 model species considered explicit

– FORM– ALD2– MEOH– ETOH

• Projection years developed to support regulatory applications

• CAP+HAP with CMAQ 4.6.1i Multipollutant model, cb05txhg, with chlorine chemistry

• 2002 NEI – Criteria pollutants and HAPs• Ozone, PM, and additional 38 HAPs • Does not include projections

• AERMOD used for local scale modeling in Detroit

• Ultimately, certain aspects of these two platforms may merge into a single platform

Page 5: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Gas Phase HAPs in CMAQ v4.6.1iHAP CAS#

Acrylonitrile 107 -13-1 Carbon Tetrachloride 56 -23 -5 Propylene Dichloride 78 -87 -5 1,3-dichloropropene 542 -75-6 1,1,2,2 -Tetrachloride Ethane 79 -34 -5 Benzene 71 -41 -2 Chloroform 67 -66 -3 1,2 -Dibromomethane 106 -93-4 1,2 -Dichloromethane 107 -06-2 Ethylene Oxide 75 -21 -8 Methylene Chloride 75 -09 -2 Perchloroethylene 127 -18-4 Trichloroethylene 79 -01 -6 Vinyl Chloride 7501 -4 Naphthalene 91 -20 -3 Quinoline 91 -22 -5 Hydrazine 302 -01-2 2,4 -Toluene Diisocyanate 584 -84-9 Hexamethylene 1,6 -Diisocyanate 822 -06-0 Maleic Anhydride 108 -31-6 Triethylamine 121 -44-8 1,4 -Dichlorobenzene 106 -46-7 Total Formaldehyde 50 -00 -0 Total Acetaldehyde 75 -07 -0 Total Acrolein 107 -02-8 1, 3 -Butadiene 106 -99-0 Formaldehyde Emissions Tracer 50 -00 -0 Acetaldehyde Emissions Tracer 75 -07 -0 Acrolein Emissions Tracer 107 -02-8

HAP CAS#toluene 108-88-3

o-xylene 95-47-6

m-xylene 108-38-3

p-xylene 106-42-3

methanol 67-56-1

Hydrochloric acid 7647-01-0

chlorine 7782-55-5

National or Regional Risk driver in NATA 1999

Page 6: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Aerosol Phase HAPs in CMAQ v4.6.1iHAP

Beryllium Compounds Nickel Compounds Chromium (III) Compounds Chromium (VI) Compounds Lead Compounds Manganese Compounds Cadmium Compounds Diesel Emissions Tracer

Mercury

Multi- Phase HAPs in CMAQ v4.6.1i

Page 7: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 National Emissions Inventory2002 National Emissions Inventory• Best integration of CAPs and HAPs to date• Mobile Sources

– On-road mobile from states or NMIM using MOBILE6– Nonroad mobile from states or NMIM using NONROAD

2005– Aircraft, Locomotive, and Marine from national totals

subdivided to counties, and state data

• Electric Generating Units (EGUs)– CEM data for SO2 and NOx– Other pollutants use state or filled-in data

• NonEGU stationary point sources from state data

• Nonpoint (area) sources, including agricultural NH3 from animals and fertilizer

• Wildfires and prescribed burning are (mostly) daily point-source based data

Page 8: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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SMOKE Emissions ProcessingSMOKE Emissions Processing

• Created SMOKE 2.3.2 specifically for platform• Day-and-location specific wildfires and

prescribed burning• Biogenics from BEIS 3.13 with 2002

meteorology• EGUs: Hourly CEM data for SO2 and NOx

(other pollutants follow hourly heat input)• Ancillary data updates

– SPECIATE4.1 speciation profiles via EMF’s Speciation Tool

– New spatial surrogates vis EMF’s Surrogate Tool

– Some temporal profile changes from 2001 platform

Page 9: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Special Features of SMOKE Special Features of SMOKE Processing for CAP+HAPProcessing for CAP+HAP

• We chose to “integrate” HAP VOC with VOC for sources which we felt had consistent set of VOC and HAP VOC– Nearly all onroad and nonroad– Most EPA-generated nonpoint– Some nonEGU point

• Integrate means HAP emissions are used to modify the speciation of VOC

• We used only HAP emissions for HAP model species (not speciation of VOC)

• For formaldehyde, acetaldehyde and methanol, use HAP inventory

Page 10: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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VOC

NONHAPVOC

TOG

VOC TOG FORM

FORM

CAP-Only:

CAP + HAPIntegrate

NONHAPTOG FORM

FORMALD FORM

Profile with FORMALD removed

No-Integrate

FORMALD FORM

Not explicit formald

Difference in Speciation CAP-only vs CAP+HAP Example for FORM

Page 11: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 Meteorological Data2002 Meteorological Data(presentation by Pat Dolwick, Session 3)(presentation by Pat Dolwick, Session 3)

• Annual MM-5 Simulations– 36 km US,12 km EUS,12 km WUS (from WRAP)– Similar configuration as 2001 MM5 (but not identical)

• MM5 data processed via MCIP v3.1 into CMAQ

• Model evaluation indicated similar model performance as the 2001 MM5 simulations– Reasonable approximation of the actual meteorology– Primary concern: 2-3 deg C underestimation of temperature in

the winter months.– Journal article fully summarizing evaluation findings will be

available in 2008 (as part of CMAS).

Page 12: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Boundary Condition ConcentrationsBoundary Condition Concentrations

• GEOSChem – Global Chemistry Transport Model developed at Harvard Univ.– 2002 simulations of GEOSChem provided via ICAP – Domain covers entire globe: 2o x 2o grids and 30

layers up to the Stratosphere– Provides Boundary Conditions for CAPs and mercury

and some other HAPS (e.g., formaldehyde) for our 36 km CONUS domain

• For toxics not simulated by GEOSChem we used concentrations based on remote measurements and values in the literature

Page 13: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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36km Domain Boundary

12km East Domain Boundary

12km West Domain Boundary

Model Domains

Page 14: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Model Performance AnalysisModel Performance Analysis• PM2.5 Species: SO4, NO3, TNO3, OC, EC, SO2

– STN, CASTNet, IMPROVE, NADP• Ozone: 1 hr-max & 8 hr-max

– AQS, SEARCH• HAPs: Formaldehyde, Acetaldehyde, etc., + metals

– NATTS, STN, IMPROVE

• Graphics and Statistics: hourly, daily, monthly, seasonal & annual– Spatial maps comparing observed and predicted species

concentrations/deposition – Scatter plots of observations vs predictions– Time-series plots of observations vs predictions– Statistics:

• Normalized Mean Bias (NMB) / Fractional Bias (FB)• Normalized Mean Error (NME) / Fractional Error (FE)• Root Mean Square Error (RMSE)

Page 15: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Highlights of 2002 Model Evaluation for CAPsHighlights of 2002 Model Evaluation for CAPs

• Ozone – Under predicted for 1-hr and 8-hr daily max. especially O3 > 60 ppb – Similar to performance for 2001 platform

• Sulfate PM – Under predicted (~up to 25%) for all seasons in the East and West– Similar to performance for 2001 platform

• Sulfur Dioxide– Over predicted (~35 to >100%) in all seasons in the East and West– Similar to performance for 2001 platform

• Sulfate Wet Deposition– Under predicted (~10 to 25%) in the Winter and Fall and over predicted

(~10%) in the Spring and Summer in the East– Under predicted (~13 to 45%) in the Spring, Summer, and Fall and over

predicted in the Winter in the West

Page 16: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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• Nitrate PM – Over predicted (~30 to > 100%) in the Fall, Winter, and in northern areas of the

East in the Spring– Significantly different than performance for 2001 platform

• Nitrogen Wet Deposition– Under predicted (~10 to 70%) in all seasons in the East and West– Similar to performance for 2001 platform

• Organic PM– Over predicted in the North and under predicted in South and West in the Winter– Under predicted in all areas (~25 to 65%) in Fall, Spring, and Summer– Similar to performance for 2001 platform

• Elemental Carbon– Mostly over predicted in urban areas (~45 to >100%) in all seasons in the East

and West– Mostly under predicted in rural areas (0 to >35%) in all seasons in the East and

West– Similar to performance for 2001 platform

Highlights of 2002 Model Evaluation for CAPsHighlights of 2002 Model Evaluation for CAPs

Page 17: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Winter Nitrate PM

12-km EUS - 2001 12-km EUS - 2002

Page 18: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Multi-Pollutant (CAP+HAP) CMAQ RunsMulti-Pollutant (CAP+HAP) CMAQ Runs

• Initial 36 km nationwide annual run completed (12km Eastern US is underway)

• Model evaluation underway- Initial run results indicate the need to more fully understand ambient toxics data in terms of the proximity of monitors to sources and the sampling time of measurements

• Initial comparison with CAP-only results for select species

Page 19: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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CAP+HAP vs CAP-only differencesCAP+HAP vs CAP-only differences• Emission Differences-

– Use HAPs for speciation for select sources– Use formaldehyde, acetaldehyde and methanol for all sources– Very small spatial/temporal profile differences in some

geographic areas

• Model Differences-– Chlorine chemistry– Added air toxics

• Differences in Predictions-– Slight differences in Summer & Winter Ozone (Northeast, CA,

UT)– Slight differences in Winter NO3 (Northeast, GA, UT)– Negligible differences in Summer SO4

– Some differences in Winter & Summer Formaldehyde & Acetaldehyde

Page 20: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 July Ozone: CAP+HAP – CAP-only

• July: CAP+HAP slightly less ozone in Northeast, more ozone in Utah in vicinity of large source of chlorine emissions.

Page 21: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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8hr max Ozone: CAP+HAP – CAP-only

July 23, 2002 July 8, 2002

Page 22: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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• January: more prominent impacts for Utah source, larger geographic area in which CAP+HAP ozone less than CAP-only ozone.

2002 January Ozone: CAP+HAP – CAP-only

Page 23: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 January Nitrate PM: CAP-only vs CAP+HAP

CAP CAP+HAPs – CAPs

Page 24: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 January Formaldehyde:

CAP+HAP – CAP-only

Difference in CMAQ FORM Difference in FORM Emissions

• CMAQ differences in winter appear to be due to differences in speciation of residential wood combustion CAP VOC vs formaldehyde in the HAP inventory (CAP << HAP)

CMAQ CAP FORM

Page 25: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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2002 July Formaldehyde:

CAP+HAP – CAP-only

Difference in CMAQ FORM Difference in FORM Emissions

• CMAQ differences in summer appear to be due to differences in formaldehyde computed from wildfires (CAP+HAP) vs speciated from VOC (CAP-only)

CMAQ CAP FORM

Page 26: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Formaldehyde – 2002 Annual Acetaldehyde – 2002 Winter

NMB = - 35.5% NME = 48.3%

NMB = - 23.1% NME = 51.5%

Examples of Model Evaluation

Page 27: EPA’s 2002 Multi-Pollutant Platform: Model Applications and Evaluation of Ozone, Particulate Matter, and Toxics OAQPS / AQAD / AQMG & EIAG Sharon Phillips,

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Future EffortsFuture Efforts

• Continue model evaluation efforts and investigate performance issues in conjunction with ORD

• Prepare Multi-Pollutant Model Evaluation Report – Fall 2007

• Provide feedback to the 2008 NEI integrated inventory process and future modeling platform


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