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rename function args
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@mattldawson
mattldawson committed Feb 21, 2025
1 parent f9e0d8d commit 90e3f17
Showing 1 changed file with 95 additions and 92 deletions.
187 changes: 95 additions & 92 deletions src/chemistry/aerosol/cloud_aqueous_chemistry.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -124,31 +124,31 @@ end subroutine initialize

!-----------------------------------------------------------------------
!-----------------------------------------------------------------------
subroutine calculate( state, &
pbuf, &
ncol, &
lchnk, &
loffset,&
dtime, &
press, &
pdel, &
tfld, &
mbar, &
lwc, &
cldfrc, &
cldnum, &
xhnm, &
invariants, &
qcw, &
qin, &
xphlwc, &
aqso4, &
aqh2so4,&
aqso4_h2o2, &
aqso4_o3, &
yph_in, &
aqso4_h2o2_3d, &
aqso4_o3_3d &
subroutine calculate( state, &
pbuf, &
ncol, &
lchnk, &
loffset, &
time_step, &
midpoint_pressure, &
pressure_thickness, &
temperature, &
mean_mass, &
cloud_water, &
cloud_fraction, &
cloud_droplet_number, &
atmospheric_number_density, &
fixed_concentrations, &
cloud_borne_aerosol_vmr, &
species_vmr, &
ph_times_cloud_water, &
aq_so4_production, &
aq_h2so4_production, &
aq_so4_production_from_h2o2, &
aq_so4_production_from_o3, &
specified_ph, &
aq_so4_production_from_h2o2_3d, &
aq_so4_production_from_o3_3d &
)

!-----------------------------------------------------------------------
Expand All @@ -172,41 +172,43 @@ subroutine calculate( state, &
use physconst, only : mwdry, gravit
use mo_constants, only : pi
#ifdef USE_MAM
use mam_clouds, only : sox_cldaero_update, sox_cldaero_create_obj, sox_cldaero_destroy_obj
use mam_clouds, only : sox_cldaero_update, sox_cldaero_create_obj, &
sox_cldaero_destroy_obj
#endif
#ifdef USE_CARMA
use carma_clouds, only : sox_cldaero_update, sox_cldaero_create_obj, sox_cldaero_destroy_obj
use carma_clouds, only : sox_cldaero_update, sox_cldaero_create_obj, &
sox_cldaero_destroy_obj
#endif
use cloud_utilities, only : cldaero_conc_t

!
!-----------------------------------------------------------------------
! ... Dummy arguments
!-----------------------------------------------------------------------
integer, intent(in) :: ncol ! num of columns in chunk
integer, intent(in) :: lchnk ! chunk id
integer, intent(in) :: loffset ! offset of chem tracers in the advected tracers array
real(r8), intent(in) :: dtime ! time step (sec)
real(r8), intent(in) :: press(:,:) ! midpoint pressure ( Pa )
real(r8), intent(in) :: pdel(:,:) ! pressure thickness of levels (Pa)
real(r8), intent(in) :: tfld(:,:) ! temperature
real(r8), intent(in) :: mbar(:,:) ! mean wet atmospheric mass ( amu )
real(r8), target, intent(in) :: lwc(:,:) ! cloud liquid water content (kg/kg)
real(r8), target, intent(in) :: cldfrc(:,:) ! cloud fraction
real(r8), intent(in) :: cldnum(:,:) ! droplet number concentration (#/kg)
real(r8), intent(in) :: xhnm(:,:) ! total atms density ( /cm**3)
real(r8), intent(in) :: invariants(:,:,:)
real(r8), target, intent(inout) :: qcw(:,:,:) ! cloud-borne aerosol (vmr)
real(r8), intent(inout) :: qin(:,:,:) ! transported species ( vmr )
real(r8), intent(out) :: xphlwc(:,:) ! pH value multiplied by lwc

real(r8), intent(out) :: aqso4(:,:) ! aqueous phase chemistry
real(r8), intent(out) :: aqh2so4(:,:) ! aqueous phase chemistry
real(r8), intent(out) :: aqso4_h2o2(:) ! SO4 aqueous phase chemistry due to H2O2 (kg/m2)
real(r8), intent(out) :: aqso4_o3(:) ! SO4 aqueous phase chemistry due to O3 (kg/m2)
real(r8), intent(in), optional :: yph_in ! ph value
real(r8), intent(out), optional :: aqso4_h2o2_3d(:, :) ! 3D SO4 aqueous phase chemistry due to H2O2 (kg/m2)
real(r8), intent(out), optional :: aqso4_o3_3d(:, :) ! 3D SO4 aqueous phase chemistry due to O3 (kg/m2)
integer, intent(in) :: ncol ! num of columns in chunk
integer, intent(in) :: lchnk ! chunk id
integer, intent(in) :: loffset ! offset of chem tracers in the advected tracers array
real(r8), intent(in) :: time_step ! time step (sec)
real(r8), intent(in) :: midpoint_pressure(:,:) ! midpoint pressure ( Pa )
real(r8), intent(in) :: pressure_thickness(:,:) ! pressure thickness of levels (Pa)
real(r8), intent(in) :: temperature(:,:) ! temperature (K) [tfld elsewhere in CAM]
real(r8), intent(in) :: mean_mass(:,:) ! mean wet atmospheric mass ( amu )
real(r8), target, intent(in) :: cloud_water(:,:) ! cloud liquid water content (kg/kg)
real(r8), target, intent(in) :: cloud_fraction(:,:) ! cloud fraction (unitless)
real(r8), intent(in) :: cloud_droplet_number(:,:) ! droplet number concentration (#/kg)
real(r8), intent(in) :: atmospheric_number_density(:,:) ! total atmospheric number density (/cm**3)
real(r8), intent(in) :: fixed_concentrations(:,:,:) ! fixed concentrations (/cm**3)
real(r8), target, intent(inout) :: cloud_borne_aerosol_vmr(:,:,:) ! cloud-borne aerosol (vmr) mol/mol = m3/m3
real(r8), intent(inout) :: species_vmr(:,:,:) ! transported species (vmr) mol/mol = m3/m3
real(r8), intent(out) :: ph_times_cloud_water(:,:) ! pH value multiplied by lwc

real(r8), intent(out) :: aq_so4_production(:,:) ! aqueous phase production of SO4 (kg/m2/s)
real(r8), intent(out) :: aq_h2so4_production(:,:) ! aqueous phase production of H2SO4 (kg/m2/s)
real(r8), intent(out) :: aq_so4_production_from_h2o2(:) ! SO4 aqueous phase production due to H2O2 (kg/m2/s)
real(r8), intent(out) :: aq_so4_production_from_o3(:) ! SO4 aqueous phase production due to O3 (kg/m2/s)
real(r8), intent(in), optional :: specified_ph ! specified pH value. If present, this value will be used instead of calculated pH
real(r8), intent(out), optional :: aq_so4_production_from_h2o2_3d(:, :) ! 3D SO4 aqueous phase production due to H2O2 (kg/m2/s)
real(r8), intent(out), optional :: aq_so4_production_from_o3_3d(:, :) ! 3D SO4 aqueous phase production due to O3 (kg/m2/s)

type(physics_state), intent(in) :: state ! Physics state variables

Expand Down Expand Up @@ -305,28 +307,29 @@ subroutine calculate( state, &
xph0 = 10._r8**(-ph0) ! initial PH value

do k = 1,pver
cfact(:,k) = xhnm(:,k) & ! /cm3(a)
cfact(:,k) = atmospheric_number_density(:,k) & ! /cm3(a)
* 1.e6_r8 & ! /m3(a)
* 1.38e-23_r8/287._r8 & ! Kg(a)/m3(a)
* 1.e-3_r8 ! Kg(a)/L(a)
end do

cldconc => sox_cldaero_create_obj( cldfrc,qcw,lwc, cfact, ncol, loffset )
cldconc => sox_cldaero_create_obj( cloud_fraction, cloud_borne_aerosol_vmr, &
cloud_water, cfact, ncol, loffset )
xso4c => cldconc%so4c
xnh4c => cldconc%nh4c
xno3c => cldconc%no3c
xso4(:,:) = 0._r8
xno3(:,:) = 0._r8
xnh4(:,:) = 0._r8
call so2%mixing_ratio( qin, invariants, xhnm, xso2 )
call nh3%mixing_ratio( qin, invariants, xhnm, xnh3 )
call hno3%mixing_ratio( qin, invariants, xhnm, xhno3 )
call h2o2%mixing_ratio( qin, invariants, xhnm, xh2o2 )
call o3%mixing_ratio( qin, invariants, xhnm, xo3 )
call ho2%mixing_ratio( qin, invariants, xhnm, xho2 )
call msa%mixing_ratio( qin, invariants, xhnm, xmsa )
call so4%mixing_ratio( qin, invariants, xhnm, xso4 )
call h2so4%mixing_ratio( qin, invariants, xhnm, xh2so4 )
call so2%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xso2 )
call nh3%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xnh3 )
call hno3%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xhno3 )
call h2o2%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xh2o2 )
call o3%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xo3 )
call ho2%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xho2 )
call msa%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xmsa )
call so4%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xso4 )
call h2so4%mixing_ratio( species_vmr, fixed_concentrations, atmospheric_number_density, xh2so4 )

xph(:,:) = xph0 ! initial PH value

Expand All @@ -336,15 +339,15 @@ subroutine calculate( state, &
ver_loop0: do k = 1,pver !! pver loop for STEP 0
col_loop0: do i = 1,ncol

if (cloud_borne .and. cldfrc(i,k)>0._r8) then
xso4(i,k) = xso4c(i,k) / cldfrc(i,k)
xnh4(i,k) = xnh4c(i,k) / cldfrc(i,k)
xno3(i,k) = xno3c(i,k) / cldfrc(i,k)
if (cloud_borne .and. cloud_fraction(i,k)>0._r8) then
xso4(i,k) = xso4c(i,k) / cloud_fraction(i,k)
xnh4(i,k) = xnh4c(i,k) / cloud_fraction(i,k)
xno3(i,k) = xno3c(i,k) / cloud_fraction(i,k)
endif
xl = cldconc%xlwc(i,k)

if( xl >= 1.e-8_r8 ) then
work1(i) = 1._r8 / tfld(i,k) - 1._r8 / 298._r8
work1(i) = 1._r8 / temperature(i,k) - 1._r8 / 298._r8

!-----------------------------------------------------------------
! 21-mar-2011 changes by rce
Expand All @@ -360,10 +363,10 @@ subroutine calculate( state, &
!-----------------------------------------------------------------

!-----------------------------------------------------------------
pz = .01_r8*press(i,k) !! pressure in mb
tz = tfld(i,k)
pz = .01_r8*midpoint_pressure(i,k) !! pressure in mb
tz = temperature(i,k)
patm = pz/1013._r8
xam = press(i,k)/(1.38e-23_r8*tz) !air density /M3
xam = midpoint_pressure(i,k)/(1.38e-23_r8*tz) !air density /M3

!-----------------------------------------------------------------
! ... hno3
Expand Down Expand Up @@ -453,7 +456,7 @@ subroutine calculate( state, &
!-----------------------------------------------------------------
! ... so4 effect
!-----------------------------------------------------------------
Eso4 = xso4(i,k)*xhnm(i,k) & ! /cm3(a)
Eso4 = xso4(i,k)*atmospheric_number_density(i,k) & ! /cm3(a)
*const0/xl


Expand All @@ -469,7 +472,7 @@ subroutine calculate( state, &
!-----------------------------------------------------------------
do iter = 1,itermax

if (.not. present(yph_in)) then
if (.not. present(specified_ph)) then
if (iter == 1) then
! 1st iteration ph = lower bound value
yph_lo = 2.0_r8
Expand All @@ -484,7 +487,7 @@ subroutine calculate( state, &
yph = 0.5_r8*(yph_lo + yph_hi)
end if
else
yph = yph_in
yph = specified_ph
end if

! calc current [H+] from ph
Expand Down Expand Up @@ -594,13 +597,13 @@ subroutine calculate( state, &
!==============================================================
ver_loop1: do k = 1,pver
col_loop1: do i = 1,ncol
work1(i) = 1._r8 / tfld(i,k) - 1._r8 / 298._r8
tz = tfld(i,k)
work1(i) = 1._r8 / temperature(i,k) - 1._r8 / 298._r8
tz = temperature(i,k)

xl = cldconc%xlwc(i,k)

patm = press(i,k)/101300._r8 ! press is in pascal
xam = press(i,k)/(1.38e-23_r8*tz) ! air density /M3
patm = midpoint_pressure(i,k)/101300._r8 ! press is in pascal
xam = midpoint_pressure(i,k)/(1.38e-23_r8*tz) ! air density /M3

!-----------------------------------------------------------------------
! ... hno3
Expand Down Expand Up @@ -658,7 +661,7 @@ subroutine calculate( state, &
endif

if ( .not. cloud_borne) then ! this seems to be specific to aerosols that are not cloud borne
xh2o2(i,k) = xh2o2(i,k) + r2h2o2*dtime ! updated h2o2 by het production
xh2o2(i,k) = xh2o2(i,k) + r2h2o2*time_step ! updated h2o2 by het production
endif

!-----------------------------------------------
Expand Down Expand Up @@ -755,10 +758,10 @@ subroutine calculate( state, &
pso4 = pso4 & ! [M/s] = [mole/L(w)/s]
* xl & ! [mole/L(a)/s]
/ const0 & ! [/L(a)/s]
/ xhnm(i,k)
/ atmospheric_number_density(i,k)


ccc = pso4*dtime
ccc = pso4*time_step
ccc = max(ccc, 1.e-30_r8)

xso4_init(i,k)=xso4(i,k)
Expand Down Expand Up @@ -803,9 +806,9 @@ subroutine calculate( state, &
pso4 = pso4 & ! [M/s] = [mole/L(w)/s]
* xl & ! [mole/L(a)/s]
/ const0 & ! [/L(a)/s]
/ xhnm(i,k) ! [mixing ratio/s]
/ atmospheric_number_density(i,k) ! [mixing ratio/s]

ccc = pso4*dtime
ccc = pso4*time_step
ccc = max(ccc, 1.e-30_r8)

xso4_init(i,k)=xso4(i,k)
Expand All @@ -824,15 +827,15 @@ subroutine calculate( state, &
end do ver_loop1

call sox_cldaero_update( state, &
pbuf, ncol, lchnk, loffset, dtime, mbar, pdel, press, tfld, cldnum, cldfrc, cfact, cldconc%xlwc, &
xdelso4hp, xh2so4, xso4, xso4_init, nh3g, hno3g, xnh3, xhno3, xnh4c, xno3c, xmsa, xso2, xh2o2, qcw, qin, &
aqso4, aqh2so4, aqso4_h2o2, aqso4_o3, aqso4_h2o2_3d=aqso4_h2o2_3d, aqso4_o3_3d=aqso4_o3_3d )
pbuf, ncol, lchnk, loffset, time_step, mean_mass, pressure_thickness, midpoint_pressure, temperature, cloud_droplet_number, cloud_fraction, cfact, cldconc%xlwc, &
xdelso4hp, xh2so4, xso4, xso4_init, nh3g, hno3g, xnh3, xhno3, xnh4c, xno3c, xmsa, xso2, xh2o2, cloud_borne_aerosol_vmr, species_vmr, &
aq_so4_production, aq_h2so4_production, aq_so4_production_from_h2o2, aq_so4_production_from_o3, aqso4_h2o2_3d=aq_so4_production_from_h2o2_3d, aqso4_o3_3d=aq_so4_production_from_o3_3d )

xphlwc(:,:) = 0._r8
ph_times_cloud_water(:,:) = 0._r8
do k = 1, pver
do i = 1, ncol
if (cldfrc(i,k)>=1.e-5_r8 .and. lwc(i,k)>=1.e-8_r8) then
xphlwc(i,k) = -1._r8*log10(xph(i,k)) * lwc(i,k)
if (cloud_fraction(i,k)>=1.e-5_r8 .and. cloud_water(i,k)>=1.e-8_r8) then
ph_times_cloud_water(i,k) = -1._r8*log10(xph(i,k)) * cloud_water(i,k)
endif
end do
end do
Expand Down Expand Up @@ -887,10 +890,10 @@ subroutine cloud_species_get_mixing_ratio( this, mixing_ratios, &
fixed_concentrations, air_density, mixing_ratio )

class(cloud_species_t), intent(in) :: this
real(r8), intent(in) :: mixing_ratios(:,:,:) ! all mixing ratios (kg kg-1) [column, layer, species]
real(r8), intent(in) :: fixed_concentrations(:,:,:) ! all fixed concentrations (kg m-3) [column, layer, species]
real(r8), intent(in) :: air_density(:,:) ! air density (kg m-3) [column, layer]
real(r8), intent(out) :: mixing_ratio(:,:) ! species mixing ratio (kg kg-1) [column, layer]
real(r8), intent(in) :: mixing_ratios(:,:,:) ! all mixing ratios (mol mol-1) [column, layer, species]
real(r8), intent(in) :: fixed_concentrations(:,:,:) ! all fixed concentrations (# cm-3) [column, layer, species]
real(r8), intent(in) :: air_density(:,:) ! air density (# cm-3) [column, layer]
real(r8), intent(out) :: mixing_ratio(:,:) ! species mixing ratio (mol mol-1) [column, layer]

if ( this%state_index_ == CLOUD_INDEX_UNDEFINED ) then
mixing_ratio(:,:) = 0._r8
Expand Down

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