OCPISOA and TotalOC not correctly represented in benchmark

[yuanjianz]

Your name

Yuanjian Zhang

Your affiliation

WashU

What happened? What did you expect to happen?

OCPISOA

OCPISOA in benchmark simulation (simpleSOA and complexSOA are both carried) double counts ISOAAQ as was in PM2.5.

geos-chem/GeosCore/aerosol_mod.F90

Lines 764 to 799 in 1ef3d7f

	! Use simple SOA by default over complex SOA in calculations
	IF ( Is_SimpleSOA ) THEN
	State_Chm%AerMass%OCPISOA(I,J,L) = ( Spc(id_OCPI)%Conc(I,J,L) * State_chm%AerMass%OCFOPOA(I,J) + &
	Spc(id_SOAS)%Conc(I,J,L) ) / AIRVOL(I,J,L)
	ELSEIF ( Is_ComplexSOA ) THEN
	State_Chm%AerMass%OCPISOA(I,J,L) = ( Spc(id_TSOA1)%Conc(I,J,L) &
	+ Spc(id_TSOA2)%Conc(I,J,L) &
	+ Spc(id_TSOA3)%Conc(I,J,L) &
	+ Spc(id_TSOA0)%Conc(I,J,L) &
	+ Spc(id_ASOAN)%Conc(I,J,L) &
	+ Spc(id_ASOA1)%Conc(I,J,L) &
	+ Spc(id_ASOA2)%Conc(I,J,L) &
	+ Spc(id_ASOA3)%Conc(I,J,L) ) &
	/ AIRVOL(I,J,L)
	IF ( IS_OPOA ) THEN ! hotp 7/28/10
	State_Chm%AerMass%OCPISOA(I,J,L) = State_Chm%AerMass%OCPISOA(I,J,L) + &
	( Spc(id_OPOA1)%Conc(I,J,L) &
	+ Spc(id_OPOA2)%Conc(I,J,L) ) &
	* State_chm%AerMass%OCFOPOA(I,J) / AIRVOL(I,J,L)
	ENDIF
	IF ( IS_OCPI ) THEN ! hotp 7/28/10
	State_Chm%AerMass%OCPISOA(I,J,L) = State_Chm%AerMass%OCPISOA(I,J,L) + Spc(id_OCPI)%Conc(I,J,L) &
	* State_chm%AerMass%OCFOPOA(I,J) / AIRVOL(I,J,L)
	ENDIF
	ENDIF
	! Add mechanistic isoprene OA (eam, 08/2015)
	! Skip adding this for Simple SOA (jaf, clh, bmy, 5/17/18)
	IF ( Is_ComplexSOA ) THEN
	State_Chm%AerMass%OCPISOA(I,J,L) = State_Chm%AerMass%OCPISOA(I,J,L) + State_Chm%AerMass%ISOAAQ(I,J,L)
	ENDIF

ISOAAQ should be added inside the elseif above to avoid this double-counting.

TotalOC

TotalOC only includes Isoprene SOA OC in complexSOA_nonSVPOA, where both POA and OPOA are not present.

geos-chem/GeosCore/diagnostics_mod.F90

Lines 2189 to 2200 in 1ef3d7f

	IF ( Is_POA ) THEN
	State_Diag%TotalOC(I,J,L) = &
	( ( TSOA(I,J,L) + ASOA(I,J,L) &
	+ OCPI(I,J,L) + OPOA(I,J,L) ) / OCFOPOA(I,J) &
	+ OCPO(I,J,L) / OCFPOA(I,J) ) * kgm3_to_ugm3
	ELSE IF ( Is_OPOA ) THEN
	State_Diag%TotalOC(I,J,L) = &
	( ( TSOA(I,J,L) + ASOA(I,J,L) &
	+ OCPO(I,J,L) + OCPI(I,J,L) + OPOA(I,J,L) ) &
	/ OCFOPOA(I,J) ) * kgm3_to_ugm3
	ENDIF

It should match what is happening in aerosol_mod.F90

geos-chem/GeosCore/aerosol_mod.F90

Lines 502 to 511 in 1ef3d7f

	! Hydrophobic OC [kg/m3]
	! SOAupdate: Treat either OCPO (x2.1) or POA (x1.4)
	IF ( IS_POA ) THEN
	State_Chm%AerMass%OCPO(I,J,L) = ( Spc(id_POA1)%Conc(I,J,L) &
	+ Spc(id_POA2)%Conc(I,J,L) ) &
	* State_Chm%AerMass%OCFPOA(I,J) / AIRVOL(I,J,L)
	ELSE IF ( IS_OCPO ) THEN
	State_Chm%AerMass%OCPO(I,J,L) = Spc(id_OCPO)%Conc(I,J,L) &
	* State_chm%AerMass%OCFOPOA(I,J) / AIRVOL(I,J,L)
	ENDIF

What are the steps to reproduce the bug?

run a fullchem benchmark simulation

Please attach any relevant configuration and log files.

No response

What GEOS-Chem version were you using?

14.4.0

What environment were you running GEOS-Chem on?

Local cluster

What compiler and version were you using?

gcc 10.2.0

Will you be addressing this bug yourself?

Yes

In what configuration were you running GEOS-Chem?

Other (please explain in additional information section below)

What simulation were you running?

Full chemistry

As what resolution were you running GEOS-Chem?

N/A

What meterology fields did you use?

Other (please explain in additional information section below)

Additional information

No response

[yantosca]

Thanks @yuanjianz for this. Would you be able to prepare a PR for this?

[yuanjianz]

@yantosca Yes, I combine the two OA-related pull requests together. See #2315 .

[yantosca]

Closing this issue as PR #2315 has been merged into the GEOS-Chem 14.5.0 development stream.