PAN: Difference between revisions
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3. I updated the rate coefficients for the reactions of [http://wiki.seas.harvard.edu/geos-chem/index.php/New_isoprene_scheme#Update_One_-_RO2.2BHO2_Reaction_Rate HO2 with the >C2 peroxy radicals] to Equation (iv) in Saunders et al. (2003). These changes have been incorporated into the standard code. | 3. I updated the rate coefficients for the reactions of [http://wiki.seas.harvard.edu/geos-chem/index.php/New_isoprene_scheme#Update_One_-_RO2.2BHO2_Reaction_Rate HO2 with the >C2 peroxy radicals] to Equation (iv) in Saunders et al. (2003). These changes have been incorporated into the standard code. | ||
4. I added several new NMVOCs. The extended mechanism includes ethanol, benzene, toluene and ethylbenzene (lumped), xylenes and trimethyl benzenes(lumped), and monoterpenes (lumped). Hydroxyacetone and methylglyoxal are treated as tracers. | |||
- The ethanol code was provided by [http://www.atmoschem.umn.edu/papers/millet_2012.pdf Dylan Millet]. | |||
- The inclusion and treatment of aromatics was motivated by Liu et al. (2010). I calculated the associated yield of methylglyoxal using recommended values for the individual aromatic | |||
species(toluene, o-xylene, m-xylene, p-xylene, 1,2,3-trimethylbenzene, 1,2,4-trimethylbenzene, and 1,3,5-trimethylbenzene) from [http://pubs.acs.org/doi/abs/10.1021/jp105112h Nishino et al. (2010)] and the observed mean aromatic speciation for Chinese cities from [http://ps.uci.edu/~rowlandblake/publications/barlettaambient.pdf Barletta et al. (2006)]. Thus the treatment is particular to the limited observations of aromatic speciation in China and should be treated as highly uncertain. | |||
150 We adopted the treatment of monoterpene oxidation from theRACM2 chemical | |||
151 mechanism (Goliff et al., 2013), lumping terpenes with one double bond (alpha-pinene, | |||
152 beta-pinene, sabinene and delta-3-carene) into one proxy. Unlike Ito et al. (2007), | |||
153 hydroxyacetone is not a product of terpene oxidation in the revised RACM2 mechanism | |||
154 used here. | |||
Revision as of 19:56, 13 September 2013
Emily Fischer has updated the PAN simulation. The code has been merged with v9.02.h at this point, and a publication (Fischer et al., 2013) has been submitted to ACP.
Updates to Chemistry
1. I replaced the isoprene chemical mechanism with the Paulot scheme. This scheme has already been implemented into the standard code.
2. I added nighttime chemistry from reactions of organic peroxy radicals with NO3 following Stone et al. (2013). This may not be incorporated into the standard chemistry.
3. I updated the rate coefficients for the reactions of HO2 with the >C2 peroxy radicals to Equation (iv) in Saunders et al. (2003). These changes have been incorporated into the standard code.
4. I added several new NMVOCs. The extended mechanism includes ethanol, benzene, toluene and ethylbenzene (lumped), xylenes and trimethyl benzenes(lumped), and monoterpenes (lumped). Hydroxyacetone and methylglyoxal are treated as tracers.
- The ethanol code was provided by Dylan Millet.
- The inclusion and treatment of aromatics was motivated by Liu et al. (2010). I calculated the associated yield of methylglyoxal using recommended values for the individual aromatic species(toluene, o-xylene, m-xylene, p-xylene, 1,2,3-trimethylbenzene, 1,2,4-trimethylbenzene, and 1,3,5-trimethylbenzene) from Nishino et al. (2010) and the observed mean aromatic speciation for Chinese cities from Barletta et al. (2006). Thus the treatment is particular to the limited observations of aromatic speciation in China and should be treated as highly uncertain.
150 We adopted the treatment of monoterpene oxidation from theRACM2 chemical 151 mechanism (Goliff et al., 2013), lumping terpenes with one double bond (alpha-pinene, 152 beta-pinene, sabinene and delta-3-carene) into one proxy. Unlike Ito et al. (2007), 153 hydroxyacetone is not a product of terpene oxidation in the revised RACM2 mechanism 154 used here.