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Pass non-zero Ca2, Mg, and K cations to HETP #2398

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Jul 26, 2024
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Pass non-zero Ca2, Mg, and K cations to HETP #2398

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1 change: 1 addition & 0 deletions CHANGELOG.md
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Expand Up @@ -11,6 +11,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),

### Changed
- Copy values from `State_Chm%KPP_AbsTol` to `ATOL` and `State_Chm%KPP_RelTol` to `RTOL` for fullchem and Hg simulations
- Change previously zero Ca2, K, and Mg cation values passed to HETP to scaled SALA species concentrations

### Fixed
- In `Headers/roundoff_mod.F90`, first cast and then only round off if `places > 0`
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34 changes: 11 additions & 23 deletions GeosCore/aerosol_thermodynamics_mod.F90
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Expand Up @@ -673,29 +673,17 @@ SUBROUTINE DO_ATE( Input_Opt, State_Chm, State_Diag, &
! Total Cl- [mole/m3]
TCL = ACL + GCL

!====================================================================
! NOTE: As of 11/2007, ISORROPIAII does not conserve mass when Ca,K,Mg
! are non-zero. If you would like to consider Ca, K, Mg from seasalt
! and dust, then ISORROPIA II ISRP4F routines must be debugged.
! (hotp, bmy, 2/1/10)
! This still applies in HETP (ewl, 4/22/2024)
!
! ! Total Ca2+ (1.16% by weight of seasalt) [mole/m3]
! TCA = Spc(id_SALA)%Conc(I,J,L) * 0.0116e+0_fp * 1.d3 /
! ( 40.08e+0_fp * VOL )
!
! ! Total K+ (1.1% by weight of seasalt) [mole/m3]
! TK = Spc(id_SALA)%Conc(I,J,L) * 0.0110e+0_fp * 1.d3 /
! ( 39.102e+0_fp * VOL )
!
! ! Total Mg+ (3.69% by weight of seasalt) [mole/m3]
! TMG = Spc(id_SALA)%Conc(I,J,L) * 0.0369e+0_fp * 1.d3 /
! ( 24.312e+0_fp * VOL )
!====================================================================
!! Set Ca, K, Mg to zero for time being (hotp, bmy, 2/1/10)
!TCA = 0e+0_fp
!TK = 0e+0_fp
!TMG = 0e+0_fp
! Total Ca2+ (1.16% by weight of seasalt) [mole/m3]
TCA = Spc(id_SALA)%Conc(I,J,L) * 0.0116e+0_fp * 1.d3 / &
( 40.08e+0_fp * VOL )

! Total K+ (1.1% by weight of seasalt) [mole/m3]
TK = Spc(id_SALA)%Conc(I,J,L) * 0.0110e+0_fp * 1.d3 / &
( 39.102e+0_fp * VOL )

! Total Mg+ (3.69% by weight of seasalt) [mole/m3]
TMG = Spc(id_SALA)%Conc(I,J,L) * 0.0369e+0_fp * 1.d3 / &
( 24.312e+0_fp * VOL )

! Compute gas-phase NO3
IF ( id_HNO3 > 0 ) THEN
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