Hi Jason,
At least one issue you are facing is the mapping of the older AE5 speciation to the new AE7 mechanism you are using. To address this, I recommend removing the following lines in the file CMAQ_Control_DESID_cb6r5_ae7_aq.nml:
‘EVERYWHERE’, ‘ALL’ ,‘SULF’ ,‘SULF’ ,‘GAS’ ,0. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘DMS’ ,‘DMS’ ,‘GAS’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘SULF’ ,‘ASO4’ ,‘FINE’ ,1. ,‘MASS’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PNH4’ ,‘ANH4’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PCL’ ,‘ACL’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PNA’ ,‘ANA’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PMOTHR’ ,‘AOTHR’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PFE’ ,‘AFE’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PAL’ ,‘AAL’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PSI’ ,‘ASI’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PTI’ ,‘ATI’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PCA’ ,‘ACA’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PMG’ ,‘AMG’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PK’ ,‘AK’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PMN’ ,‘AMN’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
‘EVERYWHERE’, ‘ALL’ ,‘PH2O’ ,‘AH2O’ ,‘FINE’ ,1. ,‘UNIT’,‘a’,
You may opt to replace those lines with alternatives that scale emissions for those species to the PMFINE variable you have on the file. For example,
‘EVERYWHERE’, ‘ALL’ ,‘PMFINE’ ,‘AFE’ ,‘FINE’ ,X.Y ,‘UNIT’,‘a’,
where X.Y is the real number scale factor you would like to apply for particulate iron (AFE) in this case. You can check Reff et al. (2009) https://pubs.acs.org/doi/full/10.1021/es802930x for some representative source-resolved scale factors for metal species that are often applied in the SPECIATE database. I’m not sure how these would apply to your total merged emissions though.
For organics (POC and PNCOM), I recommend modifying all of the lines with APNCOM from, for example:
‘EVERYWHERE’, ‘ALL’ ,‘PNCOM’ ,‘VSVPO1’ ,‘GAS’ ,0.045,‘MASS’,‘a’,
to:
‘EVERYWHERE’, ‘ALL’ ,‘POC’ ,‘VSVPO1’ ,‘GAS’ ,0.018,‘MASS’,‘a’,
Here, I have changed the emission file variable to POC (which exists) and multiplied the scale factor by 0.4, which is the default assumption employed by Simon and Bhave (2012) https://pubs.acs.org/doi/full/10.1021/es202361w for ‘other’ sources. If you have access to specific vehicle or biomass burning emissions inputs, then you can scale them with 0.25 and 0.7 respectively. This can be done by using the ‘source stream’ field, which is currently set to ‘ALL’. For example, if your vehicle emission stream is named ‘VEHICLES’ and biomass burning emissions are named ‘BIOMASS’, then the following would work:
‘EVERYWHERE’, ‘ALL’ ,‘POC’ ,‘VSVPO1’ ,‘GAS’ ,0.018,‘MASS’,‘a’,
‘EVERYWHERE’, ‘VEHICLES’ ,‘POC’ ,‘VSVPO1’ ,‘GAS’ ,0.01125,‘MASS’,‘o’,
‘EVERYWHERE’, ‘BIOMASS’ ,‘POC’ ,‘VSVPO1’ ,‘GAS’ ,0.0315,‘MASS’,‘o’,
The final ‘o’ indicates that the original scale factor should be overwritten for the emissions from the stream identified on that line. If you have several files that make up the vehicle or biomass burning emissions, you can combine them using the Stream Family feature in the CMAQ_Control_DESID.nml file.
Finally, you may also have issues with gas emissions. If that’s the case, we may be able to help further with mapping those species.
Good luck!
Ben