Comprehensive Update Across All Modules Following GEOS-CHEM #98
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a. Include
HNO3
in SuperFast and dry deposition, add third-body reaction ✅b. Remove reaction
13b
and speciesCH3O
✅c. Change the rate of O(1D) + H2O from
2.2*10^-10 to 1.45*10^-10*exp(89/T)
✅d. Finish #TODOs, such as removing the unknown constant
c
= 2.46e10 in SuperFast reaction rate, and adding two branches ofCH2O
photolysis. ✅After updating the documentation and tests, I ran some simulations for the box model; everything worked fine with changes a-c. However, the system became extremely unstable after the change d.
The reason is the unit inconsistency between the reaction rate and the species for the second reaction. Therefore, I looked deeper into the
GEOS-CHEM KPP
module, SuperFast Paper, and other papers providing the same reaction rate value. I finally confirmed that the second reaction rate should be in units of "cm³/molec/s
," and I transformed those values with species in units of "ppb" usingAvogadro's number
constant and a new parameter,air_volume
. This happens to be close to the unknown constantc
deleted. (I should have added notes to the calculated numbers in the code.)This pull request is not ready to be pulled because:
a. I need to update tests and documentation with the changes and unit conversions, and hopefully run the box model/3D model with better results.
b. The Fullchem mechanism experienced the same unit inconsistency problem for the second and subsequent reactions, which needs to be fixed.
c. I still haven't found a better way to include pressure
P
in SuperFast. If I don't include it in SuperFast, I won't be able to do the unit conversion when coupling NEI2016 and SuperFast.