incorporation of the model of aerosol dynamics reaction ionization and dissolution madrid into cmaq
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Incorporation of the Model of Aerosol Dynamics, Reaction, Ionization and Dissolution (MADRID) into CMAQ. Yang Zhang, Betty K. Pun, Krish Vijayaraghavan, Shiang-Yuh Wu and Christian Seigneur AER, San Ramon, CA CMAQ Workshop, October 2002.

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incorporation of the model of aerosol dynamics reaction ionization and dissolution madrid into cmaq

Incorporation of the Model of Aerosol Dynamics, Reaction, Ionization and Dissolution (MADRID) into CMAQ

Yang Zhang, Betty K. Pun, Krish Vijayaraghavan,

Shiang-Yuh Wu and Christian Seigneur

AER, San Ramon, CA

CMAQ Workshop, October 2002

madrid model of aerosol dynamics reaction ionization and dissolution
MADRIDModel of Aerosol Dynamics, Reaction, Ionization, and Dissolution

Gas/particle mass transfer

  • Hybrid algorithm
  • Full equilibrium algorithm

Coagulation not important under polluted conditions

Nucleation

Condensable

gases

Condensation

Existing

Particles

Coagulation

gas to particle conversion processes in madrid
Gas-to-Particle Conversion Processes in MADRID
  • Nucleation (McMurry and Friedlander,1979)
  • Thermodynamic equilibrium for inorganic species
    • ISORROPIA (SO4=, NO3-, NH4+, Na+, Cl-, water)
  • Equilibrium for organic species
    • Absorption based on empirical data
    • Dissolution and absorption from first principles
  • Diffusion-limited condensation/volatilization
    • Hybrid mass transfer from Calpado & Pandis or from Meng et al.
    • Moving-center algorithm of Jacobson
major differences between madrid and original cmaq module
CMAQ

Modal size distribution

NH4+, SO4=, NO3-,Na+, Cl-

Coagulation

Nucleation

Full equilibrium approach to simulate mass transfer

Standard dry deposition

Absorption (irreversible) of 6 SOA using chamber data

MADRID

Sectional representation

Same species

Not treated

New particle formation

Hybrid or full equilibrium approach

Revised flux approach

Two SOA modules available

Major Differences between MADRID and Original CMAQ Module
soa modules in madrid
MADRID 1

Modified CBM-IV & RADM2

4 anthropogenic SOA (aromatics)

34 biogenic SOA (monoterpenes)

Absorption based on smog chamber data (Odum et al., 1997; Griffin et al., 1999)

MADRID 2

CACM(1)

42 condensable products

hydrophobic surrogate SOA

4 anthropogenic, 1 biogenic

hydrophilic surrogate SOA

3 anthropogenic, 2 biogenic

Absorption based on estimated properties

Dissolution into existing aqueous particles

SOA Modules in MADRID

(1) Caltech atmospheric chemistry mechanism

incorporation of madrid into models 3

Meteorology

Emissions, initial conditions, boundary conditions (modal)

Conversion from modal to sectional

Pre-

Processors

Sectional

Modal

Sectional

Modal

Sectional PM module

CBM-IV / RADM2 + 19 biogenic reactions or CACM

Modal PM module

Gas-phase: CBM-

IV + 3 biogenic

reactions

Chemical

Transport

Model

Dry Deposition

(sectional Vdep)

Dry Deposition

(modal Vdep)

PM concentrations

PM concentrations

Sectional

Modal

Output

PM chemical

concentrations

by size section

PM deposition

flux by chemical

PM chemical

concentrations

by mode

Incorporation of MADRID into Models-3
los angeles application
Los Angeles Application
  • SCAQS episode of 27-28 August 1987
  • Simulation using MM5 and CMAQ-MADRID 1
scaqs 1987 episode
SCAQS 1987 Episode
  • 25-29 August 1987
  • Domain: 63 x 28 grid cells, consistent with previous modeling exercises
  • Grid Resolution: 5 km
  • MM5 used to generate input meteorology
  • Emission inventory developed from previous simulations
model performance ozone and pm 2 5
Model Performance Ozone and PM2.5

Species Error Bias

O3 34% 9%

PM2.5 44% 14%

model performance pm 2 5 components
Model Performance PM2.5 Components

Species Error Bias

Sulfate 38% 11%

Nitrate 45% -38%

EC 54% -20%

OC 49% -22%

observed and simulated pm 2 5 composition

Sulfate

Nitrate

Ammonium

EC

OC

Others

Observed and Simulated PM2.5 Composition

27 August

28 August

Observations

MADRID 1

nashville tennessee application
Nashville, Tennessee Application
  • SOS episode of 15-18 July 1995
  • Simulation using MM5 and CMAQ-MADRID 2
model performance ozone pm 2 5 and sulfate
Model Performance Ozone, PM2.5 and Sulfate

Species Error Bias

O3 17% 4%

PM2.5 17% -15%

Sulfate 13% -11%

formation of condensable organics
Formation of Condensable Organics

Condensable products in Nashville

Concentrations (mg/m3)

Time (hour)

formation of particulate organics
Formation of Particulate Organics

Nashville

SOA (mg/m3)

Time (hour)

hydrophobic vs hydrophilic organics
Hydrophobic vs. Hydrophilic Organics

Nashville

SOA (mg/m3)

Time (hour)

sensitivity of hydrophilic organics to henry s law constant
Sensitivity of Hydrophilic Organics to Henry’s Law Constant

Nashville

RH

Hydrophilic SOA (mg/m3)

RH

Time (hour)

Base case; H = 1.6 x 106 M/atm

Sensitivity case; H = 109 M/atm

other applications of madrid
Other Applications of MADRID
  • Nashville
    • comparison of three SOA modules
  • BRAVO
    • regional simulation with RADM2 and MADRID 1
  • Southeast
    • applications of MADRID 1 and MADRID 2
  • Eastern United States
    • application of MADRID 1 for one year for nitrogen deposition
lessons from pm simulations
Lessons from PM Simulations
  • Accurate PM emission inventories are critical
  • Secondary organic aerosols remain a major source of uncertainty
  • Boundary conditions can have significant effects on O3 and PM predictions
  • Effects of clouds on sulfate need to be simulated for regional haze
  • Models yet to be tested for wintertime conditions
acknowledgments
Acknowledgments
  • Funding for this work was provided by EPRI and CARB
  • We would like to thank
    • J.H. Seinfeld, S. Pandis, M. Jacobson, R. Griffin, and A. Nenes for providing source codes used in MADRID
    • S. Leduc and F. Binkowski for discussions regarding CMAQ
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