geoschem / HEMCO

The Harmonized Emissions Component (HEMCO), developed by the GEOS-Chem Support Team.
https://hemco.readthedocs.io
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[FEATURE REQUEST] Convert HEMCO_sa_Spec.rc to YML #79

Open msulprizio opened 3 years ago

msulprizio commented 3 years ago

The HEMCO_sa_Spec.rc file is currently a text file in the format:

# List species below. For each species, the following entries must be given:
# ID        : species ID
# NAME      : species name
# MW        : molecular weight (g/mol)
# K0        : Henry constant at 298 K (M/atm, liquid over gas)
# CR        : Henry temperature dependency (-d ln(KH)/d(1/T)
# pKA       : acid dissociation constant
#
# NOTE: These are the species corresponding to the standard simulation!
#
#ID NAME           MW      K0                CR        PKA
1   NO             30.00   0.000000E+00      0.00      0.00
2   O3             48.00   0.000000E+00      0.00      0.00
3   PAN           121.00   0.000000E+00      0.00      0.00
etc.

As noted in https://github.com/geoschem/HEMCO/issues/76 this format and the code that reads the file is prone to error, especially if an older version of HEMCO_sa_Spec.rc is used with the latest version of HEMCO in which the MWEMIS and MOLECRATIO columns have been removed. Ideally, we should update this file to YML format and possibly even utilize the species_database.yml file from GEOS-Chem.

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