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wrfchem-leeds / WRFotron

Tools to automatise WRF-Chem runs with re-initialised meteorology
https://wrfchem-leeds.github.io/WRFotron/
GNU Affero General Public License v3.0
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N2O5 chemistry not working when using MOZART-MOSAIC with aqueous chemistry #23

Closed lukeconibear closed 3 years ago

lukeconibear commented 3 years ago

What happened: WRFChem fails when running when heterogeneous uptake of N2O5 onto aerosol particles is turned on (n2o5_hetchem = 1) for MOZART-MOSAIC with aqueous chemistry (chem_opt = 202).

Happens for both WRFChem3.7.1 and WRFChem4.2, including CEMAC builds.

lukeconibear commented 3 years ago

Part of the issue was that the n2o5_hetchem flag within namelist.chem.blueprint was set to have a value per domain, instead of one value per run (as detailed in the Registry).

This change enables MOZART-MOSAIC without aqueous chemistry (chem_opt = 201) to run with N2O5 heterogeneous chemistry without the Cl- pathway (n2o5_hetchem = 1).

The issue remained for chem_opt = 202 with n2o5_hetchem = 1.

The other part of the solution is to include these chemistry schemes in the config_flags%n2o5_hetchem conditional within chemics_init.F. For example, replace:

             config_flags%chem_opt == 203 .OR.                                     &

With:

             config_flags%chem_opt == 203 .OR. config_flags%chem_opt == 202 .OR. &

Then recompile. If you use a manual version, then follow steps here. This solution is being incorporated into CEMAC builds and WRF repository.

To have full N2O5 heterogeneous chemistry with the Cl- pathway (n2o5_hetchem = 2), the gas-phase scheme has to include ClNO2. Currently, chem_opt = 201/202 do not have ClNO2. The schemes that have this are chem_opt = 601/611/604.

lukeconibear commented 3 years ago

Created pull request to main WRFChem.

lukeconibear commented 3 years ago

Added to CEMAC build version 2 (/nobackup/cemac/software/build/WRFChem/4.2/2).

lukeconibear commented 3 years ago

Updated to flavours revision 2 in /nobackup/cemac/software/modulefiles/apps/WRFchem/4.2.