Annual Simulations of Models-3/CMAQ: Issues and Lessons Learned Pat Dolwick, Carey Jang, Norm Possiel, Brian Timin, Joe Tikvart Air Quality Modeling Group.

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Presentation transcript:

Annual Simulations of Models-3/CMAQ: Issues and Lessons Learned Pat Dolwick, Carey Jang, Norm Possiel, Brian Timin, Joe Tikvart Air Quality Modeling Group USEPA/OAQPS/EMAD Research Triangle Park, North Carolina M3 User Workshop, 10/21/2002

OUTLINE b b Applications and evaluations of Models-3/CMAQ at USEPA/OAQPS b b Issues related to annual modeling of ozone and PM b b Preliminary comparison results between CMAQ-2002 and releases b b On-going and upcoming activities

Models-3/CMAQ Applications and Evaluations at EPA/OAQPS b Western U.S. Application Episodic O 3, July 96, 36/12 km, evaluation, (AWMA 2001) b Annual Continental U.S. Application 1-atmosphere, annual 1996, 36-km, evaluation & diagnostics, on-going for 2001, (AWMA 2001 & 2002) b Eastern U.S. Application 1-atmosphere, July 95, urban applications, 36/12/4-km, emissions control & growth (on-going) b Intercontinental Transport modeling Trans-Oceanic transport of air pollutants and nested U.S. & Asia/China modeling for year 2001

12 km western US ozone domain 36 km western US ozone domain 36 km eastern US domain Models-3/CMAQ Modeling: Domain Maps 36 km Annual National US domain 12 km domain 4 km domain

Annual Continental U.S. Application b Features : Annual CMAQ modeling over the continental U.S., “One-Atmosphere” b Model Setup : Annual PM and O 3 (1996) 36-km, 8/12 vertical layers Meteorology : MM5 Emissions Processing: SMOKE Model Evaluation: Compared against observed data (IMPROVE & CASTNET) & REMSAD Papers published in AWMA (2001 & 2002)

July 1, 1996 NOx EmissionsSO 2 Emissions

Run Time & Disk Space Requirement for Annual CMAQ Simulation b CMAQ annual run time was ~14 days 4 CPUs (400 MHz) Sun Workstations (Enterprise 450); Running 4 quarters of the year concurrently4 CPUs (400 MHz) Sun Workstations (Enterprise 450); Running 4 quarters of the year concurrently ~4 hours/model day (8 layers)~4 hours/model day (8 layers) b Model-Ready Inputs/Outputs (entire year) Emission (SMOKE/ECIP) : 40 GBEmission (SMOKE/ECIP) : 40 GB Meteorology (MM5/MCIP) : 100 GBMeteorology (MM5/MCIP) : 100 GB Outputs (M3/CMAQ) : 250 GB, compressed to 9 GBOutputs (M3/CMAQ) : 250 GB, compressed to 9 GB b The model runs >4 times faster on new Linux PCs 1.6GHz AMD Athlon MP (single CPU)1.6GHz AMD Athlon MP (single CPU) b Current modeling are transitioned to Linux PCs (parallel processing on the PC/Linux cluster is being investigated)

Annual Continental U.S. CMAQ Modeling: O 3 (July Max in ppb, 1996)

Annual CMAQ Modeling: Visibility (January Average in Deciview)

Annual CMAQ Modeling: Wet Deposition Sulfur Wet Deposition Nitrogen Wet Deposition (January average)

Models-3/CMAQ Simulation: Annual Average PM 2.5Sulfate PM Organic PM Nitrate PM

Observation (IMPROVE) Model Annual Average: Total PM 2.5 mass

Observation Model NO 3 SO 4 OC Annual Average: PM 2.5 Species (SO 4, NO 3, OC)

Models-3/CMAQ : Monthly Average (July) PM 2.5 Sulfate PM Organic PM Nitrate PM

Observation Model NO 3 SO 4 OC Summer Average: PM 2.5 Species (SO4, NO3, OC)

Models-3/CMAQ : Monthly Average (January) PM 2.5 Sulfate PM Organic PM Nitrate PM

Winter Average: PM 2.5 Species (SO4, NO3, OC) Observation Model NO 3 SO 4 OC

Annual CMAQ Modeling: CB4 vs. RADM2 Nitrate PM (January avg, 1996)

Annual CMAQ Modeling: CB4 vs. RADM2 Sulfate PM (July avg, 1996)

NH 3 Sensitivity Modeling Base 50% NH 3 reduction Nitrate PM : (January Avg, 1996)

On-going and Upcoming Modeling Activities at OAQPS/AQMG b Continue model evaluation and sensitivity test for the annual 1996 continental US run Examine nitrate and organic PM issues – –Emissions issues (NH 3, BEIS3, Fire, CA emis. etc.) – –Vertical layer sensitivity (8-14 layers) – –Nitrate nighttime chemistry issue – –“N2O5 + H2O --> 2HNO3” and “NO2 + OH --> HNO3” – –Dry deposition Issue – –Vertical diffusion sensitivity

b Modeling support for regulatory analysis ! ! Clear Skies Initiative (on-going) ! ! PM Transport Rule (2002/03) ! ! Nonroad Rule (2002/03) ! ! Section 812 CAAA Prospective Update (2003) ! ! 8-Hour Ozone Implementation Guidance (2002/03) ! ! PM NAAQS Review (2003) ! ! Regional Haze Rule (on-going) On-going and Upcoming Modeling Activities at OAQPS/AQMG (contd.)

b Improvement of base model simulation Increase vertical resolution (from 8 to 12 layers) Monthly NH 3 emissions adjustments from animal husbandry & fertilizer operations (based on ORD inverse modeling) BEIS-3/BELD-3 NOx emissions from new Nonroad model California NOx & VOC emission adjustments Updated plume rise algorithm in SMOKE Upgrade to latest Models-3/CMAQ release (July 2002) On-going and Upcoming Modeling Activities at OAQPS/AQMG (contd.)

National 1996 CMAQ Modeling: Peak Ozone (July 1996) 8-layer CMAQ 12-layer CMAQ Old Base vs. New Base

Sulfate PM (Monthly average, July 1996) 8-layer CMAQ 12-layer CMAQ Annual CMAQ Modeling: Old Base vs. New Base

Nitrate PM (Monthly average, January 1996) 8-layer CMAQ 12-layer CMAQ Annual CMAQ Modeling: Old Base vs. New Base

Anthropogenic SOA Biogenic SOA (BEIS2 vs. BEIS3) 8-layer CMAQ 12-layer CMAQ Organic PM (July 1996) Annual CMAQ Modeling: Old Base vs. New Base

CMAQ Seasonal Ozone (8-hr max) Evaluation Spring Fall Summer Winter Observation Model

CMAQ Seasonal Sulfate PM Evaluation Spring Fall Summer Winter Observation Model

CMAQ Seasonal Organic PM Evaluation Spring Fall Summer Winter Observation Model

CMAQ Seasonal Nitrate PM Evaluation Spring Fall Summer Winter Observation Model

CMAQ Seasonal Total NO 3 (HNO3 + Nitrate PM) Evaluation Spring Fall Summer Winter Observation Model

CMAQ vs. IMPROVE Model performance : Annual average

CB-IV SAPRC-99 CB-IV SAPRC-99 (January Average) Nitrate Nighttime Chemistry Sensitivity “N2O5  HNO3” rxn rate (sensitivity test)

Base Kv (min) = 5 Base Kv (min) = 5 Kv(min) = 1, Stable up to 3 rd layer, ~230 m Kv(min) = 1, Stable up to 3 rd layer, ~230 m (January Average) Kv (vertical diffusion) Sensitivity

(January 19, 2002) NH 3 Dry Deposition Issue in CMAQ NH 3 Dry Dep. (V d ) Air Temp. NH 3 Dry Dep. (V d ) Air Temp.

b Improvement of base model simulation Increase vertical resolution (from 8 to 12 layers) Monthly NH 3 emissions adjustments from animal husbandry & fertilizer operations (based on ORD inverse modeling) BEIS-3/BELD-3 NOx emissions from new Nonroad model California NOx & VOC emission adjustments Updated plume rise algorithm in SMOKE Upgrade to latest Models-3/CMAQ release (July 2002) – –Computer time issue (runtime doubled) – –Nitrate PM overprediction issue – –Organic PM/Biogenic SOA issue On-going and Upcoming Modeling Activities at OAQPS/AQMG (contd.)

(January avg.) Difference (CMAQ/2002 – CMAQ/2001)  PM 2.5  PM 2.5  Nitrate PM

(January avg.) Nitrate PM CMAQ-2001 (AE2) CMAQ-2002 (AE3) CMAQ-2001 (AE2) CMAQ-2002 (AE3)

(July avg.) Difference (CMAQ/2002 – CMAQ/2001)  PM 2.5  PM 2.5  Biogenic SOA

CMAQ (AE3) CMAQ (AE2) Anthropogenic SOA Biogenic SOA (July avg.) 2 ug/m3 6 ug/m3

b Annual National CMAQ run for year MM5 & NEI emissions thru SMOKE Model evaluation against expanded PM speciation network (TREND, IMPROVE, etc.) b “Intercontinental Transport of Climatic Effect of Air Pollutants” (ICAP) Project Modeling of trans-oceanic pollutant transport Nested modeling over East Asia/China Region Upcoming Modeling Activities at OAQPS/AQMG

“Intercontinental Transport and Climatic Effects of Air Pollutants (ICAP)” : USEPA Modeling Initiative NASA/MOPPIT: CO Transport

Intercontinental Transport and Climatic Effects of Air Pollutants (ICAP)

Air Quality Modeling over China : Ozone

PM 2.5Sulfate PM Organic PM Nitrate PM Air Quality Modeling over China : PM

Visibility (Deciview) Sulfate Wet Deposition Air Quality Modeling over China

b b PM 2.5 modeling more complex than O 3 modeling Multi-species vs. single species SO 2, NOx, VOC, or NH 3 -limited vs. VOC or NOx-limted Annual vs. summer pollutants Day + nighttime chemistry vs. daytime chemistry “Gas + aqueous + aerosol” chemistry vs. gas chemistry Organic PM modeling is still a research issue Emission (e.g. NH 3, fire, Biogenic ) & monitoring issues (e.g., OC/EC, nitrate) and provide further modeling challenge b b O 3 and PM are highly linked, “one-atmosphere” modeling is necessary Take Home Message

Nitrate PM Sulfate PM -- (decrease) -- (decrease) -- (decrease) -- (decrease) (July Average, 1996) 50% NOx reduction

Formation of Secondary PM (PM 2.5 ): Sulfate PM formation: H 2 SO NH 3 ---> (NH 4 ) 2 SO 4 (s) Gas Phase: O 2,H 2 O SO 2 + OH ---> H 2 SO 4 Aqueous Phase: H 2 O S(IV) + H 2 O 2 ---> H 2 SO 4 (Dominate over low pH) S(IV) + O 3 ---> H 2 SO 4 Nitrate PM formation: HNO 3 + NH 3 NH 4 NO 3 (aq,s) Gas Phase : (daytime) NO 2 + OH ---> HNO 3 Gas &Aq Phase : (nighttime) N 2 O 5 + H 2 O ---> HNO 3 Organic PM formation: (Gas-Particle conversion) VOC + OH ---> SOA O 3, NO 3 (semi-volatile) (Long-chain VOC, Aromatics, Biogenic VOC)

Ozone Sulfate PM Ozone Sulfate PM -- (decrease) -- (decrease) -- (decrease) -- (decrease) (July Average, 1996) 50% NOx reduction

Ozone Organic PM Ozone Organic PM -- (decrease) -- (decrease) -- (decrease) -- (decrease) (July Average, 1996) 50% NOx reduction

Nitrate PM Sulfate PM -- (decrease) + (increase) -- (decrease) + (increase) (January Average) 50% NOx reduction

Ozone Sulfate PM Ozone Sulfate PM + (increase) + (increase) + (increase) + (increase) (January Average) 50% NOx reduction

Air Toxics Ozone Acid Rain Visibility PM 2.5 WaterQuality. OH. OH Role in Linking Pollutants Formation : One-Atmosphere NOx + VOC + OH + hv ---> O 3 SOx [or NOx] + NH 3 + OH ---> (NH 4 ) 2 SO 4 [or NH 4 NO 3 ] SO 2 + OH ---> H 2 SO 4 NO 2 + OH ---> HNO 3 VOC + OH ---> Orgainic PM OH Air Toxics (POM, PAH, Hg (II), etc.) Fine PM (Nitrate, Sulfate, Organic PM) NOx + SOx + OH (Lake Acidification, Eutrophication)