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Regional Modeling of The Atmospheric Fate and Transport of Benzene and Diesel Particles with CMAQ. Christian Seigneur, Betty Pun Kristen Lohman, and Shiang-Yuh Wu AER San Ramon, CA. Acknowledgments.

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regional modeling of the atmospheric fate and transport of benzene and diesel particles with cmaq

Regional Modeling of The Atmospheric Fate and Transport of Benzene and Diesel Particles with CMAQ

Christian Seigneur, Betty Pun

Kristen Lohman, and Shiang-Yuh Wu

AER

San Ramon, CA

acknowledgments
Acknowledgments
  • Project A-42-1 funded by the Coordinating Research Council (CRC) and the U.S. DOE Office of FreedomCAR and Vehicle Technologies through the National Renewable Energy Laboratory (NREL)
air toxics regional model
Air Toxics Regional Model
  • CMAQ
    • with benzene chemistry
    • with “diesel particles” species
benzene chemistry
Benzene Chemistry
        • C6H6 + OH Products
  • k = 1.3 x 10-12 cm3 molec-1 s -1 at 298 K
  • Benzene half-life of about 1 week
  • OH concentrations from CMAQ chemistry (CBM-IV)
diesel particles
Diesel Particles
  • A fixed bimodal distribution of diesel particles was assumed for the emitted and ambient diesel particles, with modes centering around 0.055 and 0.5 m.
  • Dry deposition is simulated using the algorithm of Venkatram and Pleim (1999)
application to the northeast
Application to the Northeast
  • Domain: Northeastern United States
  • Period: July 11-15, 1995
  • Models: 3-D nested regional model (modified CMAQ) with 12 and 4 km horizontal resolution
emission inventories
Emission Inventories
  • Benzene: National Toxics Inventory (1996) with spatial resolution by county and annual resolution
  • Diesel particles: National Emission Inventory (1996) with spatial resolution by county and annual resolution
  • SMOKE emission processing
    • surrogate files for spatial distribution (e.g., major highways, population)
    • temporal profiles (seasonal, weekday/weekend, diurnal) according to SCC
benzene ppb simulation vs measurements
Benzene (ppb)Simulation vs. Measurements

Location

Simulation

Measurements(1)

Urban

1 - 5

0.9 - 26

Suburban -

0.1 – 0.6

0.1 - 0.5

Rural

Remote

< 0.1

0.008 – 0.2

(1) Finlayson-Pitts & Pitts, 1999

elemental carbon 1 m g m 3 simulation vs measurements
Elemental Carbon(1) (mg/m3)Simulation vs. Measurements

Location

Simulation(2)

Measurements(3)

Urban

1 - 21

0.8 – 20

Suburban -

0.2 – 2

0.5 - 2

Rural

Remote

0.05 - 0.2

0.005 – 0.5

(1) Elemental carbon (EC) is an operational definition of the analytical measurement technique

(2) assuming 50% EC in diesel particles

(3) Seinfeld and Pandis, 1998

elemental carbon 1 m g m 3 simulation vs measurements on july 15
Elemental Carbon(1) (mg/m3)Simulation vs. Measurements on July 15

Location Simulation(2) Measurements(3)

E. Forsythe, NJ 0.53 1.16

Washington, D.C. 1.51 1.89

(1) Elemental carbon (EC) is an operational definition of the analytical measurement technique

(2) assuming 50% EC in diesel particles

(3) IMPROVE

conclusion
Conclusion
  • CMAQ was modified to simulate two air toxics:
    • Benzene
    • Diesel particles
  • Regional model gives realistic atmospheric concentrations for benzene and diesel particles
  • Regional background can have a significant impact on peak urban concentrations
  • Elemental carbon (EC) is not a good surrogate for diesel particles because of other EC sources