Transcript Updates to aerosol package in MOZART

Simulated species
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interactive oxidants
SO2, SO4, DMS
NH3, NH4, NH4NO3
OC (hydrophobic, hydrophilic)
same as Phil
BC (hydrophobic, hydrophilic)
Sea-salt (4 bins)
SOA
SOA
• Use the mass-based stoichiometric
coefficients for the 2-product approach
• Linked to full mechanism only
reaction
fraction
reference
C10H16+O3
1.
Chung and Seinfeld
C10H16+OH
1.
Chung and Seinfeld
C10H16+NO3
1.
Chung and Seinfeld
TOL+OH
0.7
Odum et al
TOL(m-xyl)+OH
0.2
Cocker et al
BIGALK+OH
0.1
Odum et al
Ammonium nitrate
• Based on Seinfeld and Metzger et al.
• Separate treatment of crystalline and aqueous state
through deliquescence relative humidity
• NH4 is firstly used to create ammonium sulfate
(sulfate neutral, rich and very rich states). What is
left is used to create ammonium nitrate
• Calculation of ammonium nitrate is through an
equilibrium calculation (equilibrium constant
dependent on the solution molality and activity)
Uptake on aerosols
• Assume log-normal distribution of sulfate,
soot and organic (organic carbon and SOA)
aerosols, with different parameters
N2O5 -> 2 HNO3
NO3 -> HNO3
NO2 -> 0.5 (OH+NO+HNO3)
HO2 -> 0.5 H2O2?
• No uptake on dust
Ammonium nitrate
• Single-solute molality and activity
coefficient parameterized using Metzger et
al. (2002): polynomial approximations
dependent on relative humidity
• H2SO4 is calculated diagnostically (not
transported)
• Nitric acid is updated by the amount of
nitrate formed