changes to allow for radii from the optics files to be used for settling

CHANGELOG.md

@@ -42,6 +42,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### Changed
 
+- Changed Chem_SettlingSimple in the process library to call Mie Query for radius and rhop inputs to the settling velocity calculation. The calls to Chem_SettlingSimple were then changed accordingly in each of the species' grid comps. Since the RH flag is no longer needed, it was removed from GA_EnvironmentMod.F90 and each of the instance RC files.
+
+
 - State Spec RC files for GOCART2G, CA, DU, NI, SU, and SS were updated such that the long names for AOD are more intuitive
 
 - Modified ExtData.yaml files to persist as climatological anthropogenic emissions after the end of the CEDS dataset in 2019. Analogous rc files removed as this capability is only available with ExtData2G
@@ -58,7 +61,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 - Moved process library macros to header file.
 
-
 ## [v2.2.1] - 2023-05-30
 
 ### Fixed

ESMF/GOCART2G_GridComp/CA2G_GridComp/CA2G_GridCompMod.F90

@@ -33,6 +33,7 @@ module CA2G_GridCompMod
 ! !DESCRIPTION: This module implements GOCART2G's Carbonaceous Aerosol (CA) Gridded Component.
 
 ! !REVISION HISTORY:
+! 4January2024   Collow - Updated call for ChemSettling
 ! 15June2020  Sherman, da Silva, Darmenov, Clune -  First attempt at refactoring.
 
 !EOP
@@ -931,6 +932,7 @@ subroutine Run2 (GC, import, export, clock, RC)
     character(len=2)  :: GCsuffix
     character(len=ESMF_MAXSTR)      :: short_name
     real, pointer, dimension(:,:,:)  :: intPtr_phobic, intPtr_philic
+    real, pointer, dimension(:,:)     :: flux_ptr
 
     real, parameter ::  cpd    = 1004.16
     integer                      :: i1, j1, i2, j2, km
@@ -1005,10 +1007,11 @@ subroutine Run2 (GC, import, export, clock, RC)
     do n = 1, self%nbins
        call MAPL_VarSpecGet(InternalSpec(n), SHORT_NAME=short_name, __RC__)
        call MAPL_GetPointer(internal, NAME=short_name, ptr=int_ptr, __RC__)
-
-       call Chem_Settling (self%km, self%klid, n, self%rhFlag, self%cdt, MAPL_GRAV, &
-                           self%radius(n)*1.e-6, self%rhop(n), int_ptr, t, airdens, &
-                           rh2, zle, delp, SD, __RC__)
+       nullify(flux_ptr)
+       flux_ptr => SD(:,:,n)
+       call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, n, self%cdt, MAPL_GRAV, &
+                           int_ptr, t, airdens, &
+                           rh2, zle, delp, flux_ptr, __RC__)
     end do
 
 !   CA Deposition

ESMF/GOCART2G_GridComp/CA2G_GridComp/CA2G_instance_CA.bc.rc

@@ -3,7 +3,7 @@
 #
 
 aerosol_radBands_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/opticsBands_BC.v1_3.RRTMG.nc
-aerosol_monochromatic_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/optics_BC.v1_3.nc
+aerosol_monochromatic_optics_file: /discover/nobackup/pcolarco/fvInput/AeroCom/x/optics_BC.v1_6.nc
 
 # Aircraft emission factor: convert input unit to kg C
 aircraft_fuel_emission_factor: 1.0000
@@ -29,8 +29,6 @@ fnum: 1.50e19  1.50e19
 # Number median radius [um]
 particle_radius_microns: 0.35 0.35
 
-rhFlag: 0
-
 # Sigma of lognormal number distribution
 sigma: 2.0  2.0
 

ESMF/GOCART2G_GridComp/CA2G_GridComp/CA2G_instance_CA.br.rc

@@ -3,7 +3,7 @@
 #
 
 aerosol_radBands_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/opticsBands_BRC.v1_5.RRTMG.nc
-aerosol_monochromatic_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/optics_BRC.v1_5.nc
+aerosol_monochromatic_optics_file: /discover/nobackup/pcolarco/fvInput/AeroCom/x/optics_BRC.v1_6.nc
 
 # Aircraft emission factor: convert input unit to kg C
 aircraft_fuel_emission_factor: 1.0000
@@ -17,8 +17,6 @@ pom_ca_ratio: 1.8
 # particle radius
 particle_radius_microns: 0.35 0.35
 
-rhFlag: 0
-
 # Initially hydrophobic portion
 hydrophobic_fraction: 0.5
 

ESMF/GOCART2G_GridComp/CA2G_GridComp/CA2G_instance_CA.oc.rc

@@ -3,7 +3,7 @@
 #
 
 aerosol_radBands_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/opticsBands_OC.v1_3.RRTMG.nc
-aerosol_monochromatic_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/optics_OC.v1_3.nc
+aerosol_monochromatic_optics_file: /discover/nobackup/pcolarco/fvInput/AeroCom/x/optics_OC.v1_6.nc
 
 # Aircraft emission factor: convert input unit to kg C
 aircraft_fuel_emission_factor: 1.0000
@@ -21,8 +21,6 @@ pom_ca_ratio: 1.8
 # particle radius
 particle_radius_microns: 0.35 0.35
 
-rhFlag: 0
-
 # Initially hydrophobic portion
 hydrophobic_fraction: 0.5
 

ESMF/GOCART2G_GridComp/DU2G_GridComp/DU2G_GridCompMod.F90

@@ -32,6 +32,7 @@ module DU2G_GridCompMod
 ! !DESCRIPTION: This module implements GOCART's Dust (DU) Gridded Component.
 
 ! !REVISION HISTORY:
+! 4January2024   Collow - Updated call for ChemSettling
 ! 16Oct2019  Sherman, da Silva, Darmenov, Clune -  First attempt at refactoring
 
 !EOP
@@ -911,6 +912,7 @@ subroutine Run2 (GC, import, export, clock, RC)
     integer                           :: i1, j1, i2, j2, km
     real, parameter ::  cpd    = 1004.16
     real, target, allocatable, dimension(:,:,:)   :: RH20,RH80
+    real, pointer, dimension(:,:)     :: flux_ptr
 #include "DU2G_DeclarePointer___.h"
 
     __Iam__('Run2')
@@ -947,11 +949,11 @@ subroutine Run2 (GC, import, export, clock, RC)
 !   Dust Settling
 !   -------------
     do n = 1, self%nbins
-       call Chem_Settling (self%km, self%klid, n, self%rhFlag, self%cdt, MAPL_GRAV, &
-                           self%radius(n)*1.e-6, self%rhop(n), DU(:,:,:,n), t, airdens, &
-                           rh2, zle, delp, DUSD, correctionMaring=self%maringFlag, __RC__)
-
-
+       nullify(flux_ptr)
+       if (associated(DUSD)) flux_ptr => DUSD(:,:,n)
+       call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, n, self%cdt, MAPL_GRAV, &
+                           DU(:,:,:,n), t, airdens, &
+                           rh2, zle, delp, flux_ptr, correctionMaring=self%maringFlag, __RC__)
     end do
 
 !   Dust Deposition

ESMF/GOCART2G_GridComp/DU2G_GridComp/DU2G_instance_DU.rc

@@ -3,7 +3,7 @@
 #
 
 aerosol_radBands_optics_file:      ExtData/chemistry/AerosolOptics/v0.0.0/x/opticsBands_DU.v15_3.RRTMG.nc 
-aerosol_monochromatic_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/optics_DU.v15_3.nc
+aerosol_monochromatic_optics_file: /discover/nobackup/pcolarco/fvInput/AeroCom/x/optics_DU.v15_6.nc
 
 particle_radius_microns: 0.73 1.4 2.4 4.5 8.0
 
@@ -50,8 +50,6 @@ molecular_weight: 0.1  0.1  0.1  0.1  0.1
 # Number of particles per kg mass
 fnum: 2.45e14  3.28e13  6.52e12  9.89e11 1.76e11
 
-rhFlag: 0
-
 # Maring settling velocity correction
 maringFlag: .true. 
 

ESMF/GOCART2G_GridComp/GA_Environment/GA_EnvironmentMod.F90

@@ -19,7 +19,6 @@ module GA_EnvironmentMod
 !      logical                :: scav_byColdCloud ! new flag example
        real, allocatable      :: molwght(:)     ! molecular weight            !NOT UNIVERSAL ONLY FOR GASES, 
        real, allocatable      :: fnum(:)        ! number of particles per kg mass
-       integer                :: rhFlag
        integer                :: nbins
        integer                :: km             ! vertical grid dimension
        real                   :: CDT            ! chemistry timestep (secs)
@@ -66,7 +65,6 @@ subroutine load_from_config(self, cfg, universal_cfg, rc)
        call ESMF_ConfigGetAttribute (cfg, self%fscav,      label='fscav:', __RC__)
        call ESMF_ConfigGetAttribute (cfg, self%molwght,    label='molecular_weight:', __RC__)
        call ESMF_ConfigGetAttribute (cfg, self%fnum,       label='fnum:', __RC__)
-       call ESMF_ConfigGetAttribute (cfg, self%rhFlag,     label='rhFlag:', __RC__)
        call ESMF_ConfigGetAttribute (cfg, self%plid,       label='pressure_lid_in_hPa:', __RC__)
        call ESMF_ConfigGetAttribute (universal_cfg, self%wavelengths_profile, label='wavelengths_for_profile_aop_in_nm:', __RC__)
        call ESMF_ConfigGetAttribute (universal_cfg, self%wavelengths_vertint, &

ESMF/GOCART2G_GridComp/NI2G_GridComp/NI2G_GridCompMod.F90

@@ -42,6 +42,7 @@ module NI2G_GridCompMod
 ! !DESCRIPTION: This module implements GOCART's Nitrate (NI) Gridded Component.
 
 ! !REVISION HISTORY:
+! 4January2024   Collow - Updated call for ChemSettling
 ! 01July2020  Sherman, da Silva, Darmenov, Clune -  First attempt at refactoring.
 
 !EOP
@@ -786,54 +787,29 @@ subroutine Run2 (GC, import, export, clock, RC)
 
 !   NI Settling
 !   -----------
-!   Because different bins having different swelling coefficients I need to
-!   handle the call to settling differently.
-
-!   Ammonium - settles like ammonium sulfate (rhflag = 3)
-    rhflag = 3
-!    call Chem_SettlingSimpleOrig (self%km, self%klid, rhflag, MAPL_GRAV, self%cdt, &
-!                                  1.e-6*self%radius(nNH4a), self%rhop(nNH4a), &
-!                                  NH4a, t, airdens, rh2, delp, zle, NH4SD, __RC__)
-    call Chem_SettlingSimple (self%km, self%klid, rhFlag, self%cdt, MAPL_GRAV, &
-                              self%radius(nNH4a)*1.e-6, self%rhop(nNH4a), NH4a, t, &
-                              airdens, rh2, zle, delp, NH4SD, __RC__)
-!   Save local copy of HNO3 for first pass through run method regardless
-
-!  Nitrate bin 1 - settles like ammonium sulfate (rhflag = 3)
-    rhflag = 3
+!   Ammonium - settles like bin 1 of nitrate
+    call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, 1, self%cdt, MAPL_GRAV, &
+                              NH4a, t, airdens, rh2, zle, delp, NH4SD, __RC__)
+!   Nitrate Bin 1
     nullify(flux_ptr)
     if (associated(NISD)) flux_ptr => NISD(:,:,1)
-!    call Chem_SettlingSimpleOrig (self%km, self%klid, rhFlag, MAPL_GRAV, self%cdt, &
-!                                  1.e-6*self%radius(nNO3an1), self%rhop(nNO3an1), &
-!                                  NO3an1, t, airdens, rh2, delp, zle, flux_ptr, __RC__)
-    call Chem_SettlingSimple (self%km, self%klid, rhFlag, self%cdt, MAPL_GRAV, &
-                              self%radius(nNO3an1)*1.e-6, self%rhop(nNO3an1), NO3an1, &
-                              t, airdens, rh2, zle, delp, flux_ptr, __RC__)
-!   Save local copy of HNO3 for first pass through run method regardless
-
-!  Nitrate bin 2 - settles like sea salt (rhflag = 2)
-    rhflag = 2
+    call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, 1, self%cdt, MAPL_GRAV, &
+                        NO3an1, t, airdens, &
+                        rh2, zle, delp, flux_ptr, __RC__)
+!   Nitrate Bin 2
     nullify(flux_ptr)
     if (associated(NISD)) flux_ptr => NISD(:,:,2)
-!    call Chem_SettlingSimpleOrig (self%km, self%klid, rhFlag, MAPL_GRAV, self%cdt, &
-!                                  1.e-6*self%radius(nNO3an2), self%rhop(nNO3an2), &
-!                                  NO3an2, t, airdens, rh2, delp, zle, flux_ptr, __RC__)
-    call Chem_SettlingSimple (self%km, self%klid, rhFlag, self%cdt, MAPL_GRAV, &
-                              self%radius(nNO3an2)*1.e-6, self%rhop(nNO3an2), NO3an2, &
-                              t, airdens, rh2, zle, delp, flux_ptr, __RC__)
-!   Save local copy of HNO3 for first pass through run method regardless
-
-!  Nitrate bin 1 - settles like dust (rhflag = 0)
-    rhflag = 0
+    call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, 2, self%cdt, MAPL_GRAV, &
+                        NO3an2, t, airdens, &
+                        rh2, zle, delp, flux_ptr, __RC__)
+!   Nitrate Bin 3
     nullify(flux_ptr)
     if (associated(NISD)) flux_ptr => NISD(:,:,3)
-!    call Chem_SettlingSimpleOrig (self%km, self%klid, rhFlag, MAPL_GRAV, self%cdt, &
-!                                  1.e-6*self%radius(nNO3an3), self%rhop(nNO3an3), &
-!                                  NO3an3, t, airdens, rh2, delp, zle, flux_ptr, __RC__)
-    call Chem_SettlingSimple (self%km, self%klid, rhFlag, self%cdt, MAPL_GRAV, &
-                              self%radius(nNO3an3)*1.e-6, self%rhop(nNO3an3), NO3an3, &
-                              t, airdens, rh2, zle, delp, flux_ptr, __RC__)
-!   Save local copy of HNO3 for first pass through run method regardless
+    call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, 3, self%cdt, MAPL_GRAV, &
+                        NO3an3, t, airdens, &
+                        rh2, zle, delp, flux_ptr, __RC__)
+
+
 
 !  NI Deposition
 !  -----------

ESMF/GOCART2G_GridComp/NI2G_GridComp/NI2G_instance_NI.rc

@@ -5,7 +5,7 @@
 nbins: 5
 
 aerosol_radBands_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/opticsBands_NI.v2_5.RRTMG.nc
-aerosol_monochromatic_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/optics_NI.v2_5.nc
+aerosol_monochromatic_optics_file: /discover/nobackup/pcolarco/fvInput/AeroCom/x/optics_NI.v2_5.nc
 
 # Scavenging efficiency per bin [km-1]
 fscav: 0.0   0.4    0.4    0.4    0.4
@@ -29,5 +29,3 @@ particle_radius_number: 0.0118  0.0118  0.0118  0.0118  0.0118
 sigma: 2.0  2.0  2.0  2.0  2.0
 
 pressure_lid_in_hPa: 0.01
-
-rhFlag: 0

ESMF/GOCART2G_GridComp/SS2G_GridComp/SS2G_GridCompMod.F90

@@ -696,11 +696,12 @@ subroutine Run1 (GC, import, export, clock, RC)
 
 !      For the Hoppel correction need to compute the wet radius and settling velocity
 !      in the surface
-       if (self%hoppelFlag) then
-          call hoppelCorrection (self%radius(n)*1.e-6, self%rhop(n), rh2(:,:,self%km), &
-                                 dz, ustar, self%rhFlag, airdens(:,:,self%km), t(:,:,self%km), &
-                                 MAPL_GRAV, MAPL_KARMAN, fhoppel, __RC__)
-       end if
+!     Collow: commented out 9 Jan 2024 as this is not consistent with the updated settling based on the optics files. The flag to call this is set to false in the instance RC file. This should be revistited in the future.
+!       if (self%hoppelFlag) then
+!          call hoppelCorrection (self%radius(n)*1.e-6, self%rhop(n), rh2(:,:,self%km), &
+!                                 dz, ustar, self%rhFlag, airdens(:,:,self%km), t(:,:,self%km), &
+!                                 MAPL_GRAV, MAPL_KARMAN, fhoppel, __RC__)
+!       end if
 
        memissions = self%emission_scale * fgridefficiency * fsstemis * fhoppel * gweibull * memissions
        dqa = memissions * self%cdt * MAPL_GRAV / delp(:,:,self%km)
@@ -733,7 +734,7 @@ subroutine Run2 (GC, import, export, clock, RC)
     type (ESMF_Clock),    intent(inout) :: clock  ! The clock
     integer, optional,    intent(  out) :: RC     ! Error code:
 
-! !DESCRIPTION: Run2 method for the Dust Grid Component.
+! !DESCRIPTION: Run2 method for the Sea Salt Grid Component.
 
 !EOP
 !============================================================================
@@ -751,6 +752,7 @@ subroutine Run2 (GC, import, export, clock, RC)
 
     integer                           :: i1, j1, i2, j2, km
     real, target, allocatable, dimension(:,:,:)   :: RH20,RH80
+    real, pointer, dimension(:,:)     :: flux_ptr
 #include "SS2G_DeclarePointer___.h"
 
     __Iam__('Run2')
@@ -785,9 +787,11 @@ subroutine Run2 (GC, import, export, clock, RC)
 !   Sea Salt Settling
 !   -----------------
     do n = 1, self%nbins
-       call Chem_Settling (self%km, self%klid, n, self%rhFlag, self%cdt, MAPL_GRAV, &
-                           self%radius(n)*1.e-6, self%rhop(n), SS(:,:,:,n), t, airdens, &
-                           rh2, zle, delp, SSSD, __RC__)
+       nullify(flux_ptr)
+       if (associated(SSSD)) flux_ptr => SSSD(:,:,n)
+       call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, n, self%cdt, MAPL_GRAV, &
+                           SS(:,:,:,n), t, airdens, &
+                           rh2, zle, delp, flux_ptr, __RC__)
     end do
 
 !   Deposition
@@ -840,17 +844,17 @@ subroutine Run2 (GC, import, export, clock, RC)
 
     RH20(:,:,:) = 0.20
     call Aero_Compute_Diags (mie=self%diag_Mie, km=self%km, klid=self%klid, nbegin=1, &
-                            nbins=self%nbins, rlow=self%rlow, &
-                            rup=self%rup, wavelengths_profile=self%wavelengths_profile*1.0e-9, &
+                            nbins=self%nbins, rlow=self%rlow, rup=self%rup, &
+                            wavelengths_profile=self%wavelengths_profile*1.0e-9, &
                             wavelengths_vertint=self%wavelengths_vertint*1.0e-9, aerosol=SS, &
                             grav=MAPL_GRAV, tmpu=t, rhoa=airdens, &
                             rh=rh20,u=u, v=v, delp=delp, ple=ple,tropp=tropp, &
                             extcoef = SSEXTCOEFRH20, scacoef = SSSCACOEFRH20, NO3nFlag=.False., __RC__)
 
     RH80(:,:,:) = 0.80
     call Aero_Compute_Diags (mie=self%diag_Mie, km=self%km, klid=self%klid, nbegin=1, &
-                            nbins=self%nbins, rlow=self%rlow, &
-                            rup=self%rup, wavelengths_profile=self%wavelengths_profile*1.0e-9, &
+                            nbins=self%nbins, rlow=self%rlow, rup=self%rup, &
+                            wavelengths_profile=self%wavelengths_profile*1.0e-9, &
                             wavelengths_vertint=self%wavelengths_vertint*1.0e-9, aerosol=SS, &
                             grav=MAPL_GRAV, tmpu=t, rhoa=airdens, &
                             rh=rh80,u=u, v=v, delp=delp, ple=ple,tropp=tropp, &

ESMF/GOCART2G_GridComp/SS2G_GridComp/SS2G_instance_SS.rc

@@ -3,7 +3,7 @@
 #
 
 aerosol_radBands_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/opticsBands_SS.v3_3.RRTMG.nc
-aerosol_monochromatic_optics_file: ExtData/chemistry/AerosolOptics/v0.0.0/x/optics_SS.v3_3.nc
+aerosol_monochromatic_optics_file: /discover/nobackup/pcolarco/fvInput/AeroCom/x/optics_SS.v3_6.nc
 
 particle_radius_microns: 0.079 0.316 1.119 2.818 7.772
 
@@ -23,10 +23,6 @@ sstEmisFlag:     2                                     # Apply a correction to e
 hoppelFlag:      .false.              # Apply Hoppel correction (set non-zero, see Fan and Toon 2011)
 weibullFlag:     .false.              # Apply Weibull distribution (set non-zero, see Fan and Toon 2011)
 
-# Method of apply relative humidity to particle radius
-rhFlag:          2       # RH swelling of Seasalt (1 for Fitzgerald 1975,
-                         #                         2 for Gerber 1985 method)
-
 # Molecular weight of species [kg mole-1]
 molecular_weight: 0.058  0.058  0.058  0.058  0.058
 

ESMF/GOCART2G_GridComp/SU2G_GridComp/SU2G_GridCompMod.F90

@@ -48,6 +48,7 @@ module SU2G_GridCompMod
 ! !DESCRIPTION: This module implements GOCART's Sulfer (SU) Gridded Component.
 
 ! !REVISION HISTORY:
+! 04January2024  Collow - Update to ChemSettling Call
 ! 08July2020  Sherman, da Silva, Darmenov, Clune -  First attempt at refactoring.
 
 !EOP
@@ -948,7 +949,7 @@ subroutine Run2 (GC, import, export, clock, RC)
     type (ESMF_Clock),    intent(inout) :: clock  ! The clock
     integer, optional,    intent(  out) :: RC     ! Error code:
 
-! !DESCRIPTION: Run2 method for the Dust Grid Component.
+! !DESCRIPTION: Run2 method for the Sulfate Grid Component.
 
 !EOP
 !============================================================================
@@ -979,7 +980,7 @@ subroutine Run2 (GC, import, export, clock, RC)
     integer :: thread
     integer                           :: i1, j1, i2, j2, km
     real, target, allocatable, dimension(:,:,:)   :: RH20,RH80
-
+    real, pointer, dimension(:,:)     :: flux_ptr
 #include "SU2G_DeclarePointer___.h"
 
     __Iam__('Run2')
@@ -1060,10 +1061,11 @@ subroutine Run2 (GC, import, export, clock, RC)
 
        call MAPL_VarSpecGet(InternalSpec(n), SHORT_NAME=short_name, __RC__)
        call MAPL_GetPointer(internal, NAME=short_name, ptr=int_ptr, __RC__)
-
-       call Chem_Settling (self%km, self%klid, n, self%rhFlag, self%cdt, MAPL_GRAV, &
-                           self%radius(n)*1.e-6, self%rhop(n), int_ptr, t, airdens, &
-                           rh2, zle, delp, SUSD, __RC__)
+       nullify(flux_ptr)
+       if (associated(SUSD)) flux_ptr => SUSD(:,:,n)
+       call Chem_SettlingSimple (self%km, self%klid, self%diag_Mie, 1, self%cdt, MAPL_GRAV, &
+                           int_ptr, t, airdens, &
+                           rh2, zle, delp, flux_ptr, __RC__)
     end do
 
     allocate(drydepositionf, mold=lwi, __STAT__)