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pst resus, and unit update
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@matthipsey
matthipsey committed Sep 5, 2022
1 parent 45aa143 commit 5127f5f
Showing 1 changed file with 67 additions and 37 deletions.
104 changes: 67 additions & 37 deletions src/aed_pesticides.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -95,7 +95,7 @@ MODULE aed_pesticides
INTEGER :: id_tem, id_sal, id_gpp ! Environmental IDs (3D)
INTEGER :: id_par, id_nir, id_uva, id_uvb ! Environmental IDs (3D)
INTEGER :: id_I_0 ! Environmental ID (2D)
INTEGER :: resuspension
INTEGER :: id_l_resus, resuspension
INTEGER :: id_epsilon, id_taub

!# Model parameters
Expand Down Expand Up @@ -175,6 +175,7 @@ SUBROUTINE aed_define_pesticides(data, namlst)
LOGICAL :: initSedimentConc = .false.
CHARACTER(len=64) :: oxy_variable = ''
CHARACTER(len=64) :: gpp_variable = ''
CHARACTER(len=64) :: resus_link ='NCS_resus'
CHARACTER(len=128) :: dbase='aed_pesticide_pars.csv'

! From Module Globals
Expand All @@ -193,7 +194,7 @@ SUBROUTINE aed_define_pesticides(data, namlst)
simVolatilisation, pst_piston_model, &
simSorption, &
simPhotolysis, &
simUptake, gpp_variable, &
simUptake, gpp_variable,resus_link, &
dbase, diag_level

!-----------------------------------------------------------------------
Expand Down Expand Up @@ -225,6 +226,8 @@ SUBROUTINE aed_define_pesticides(data, namlst)

! Set module values to user provided numbers in the namelist
data%resuspension = resuspension
IF ( .NOT. simResuspension ) resus_link = ''

data%initSedimentConc = initSedimentConc

! Store pesticide specific parameter values in module data type
Expand Down Expand Up @@ -252,6 +255,14 @@ SUBROUTINE aed_define_pesticides(data, namlst)
IF (oxy_variable .NE. '') data%id_oxy = aed_locate_variable(oxy_variable)
IF (gpp_variable .NE. '') data%id_gpp = aed_locate_variable(gpp_variable)

!-- Locate and check for link variable
IF ( resuspension>0 .AND. .NOT.resus_link .EQ. '' ) THEN
data%id_l_resus = aed_locate_sheet_variable(TRIM(resus_link))
ELSE
data%id_l_resus = 0
data%resuspension = 0.
ENDIF

! Register environmental dependencies
data%id_I_0 = aed_locate_sheet_global('par_sf')
data%id_tem = aed_locate_global('temperature')
Expand Down Expand Up @@ -432,7 +443,7 @@ SUBROUTINE aed_pesticides_load_params(data, dbase, count, list)
! Register group as a state variable
data%id_pstd(i) = aed_define_variable( &
TRIM(data%pesticides(i)%name)//'_d', &
'mmol/m3', 'pesticide dissolved concentration', &
'mg/m3', 'pesticide dissolved concentration', &
data%pesticides(i)%pst_initial , &
minimum=min_conc)

Expand All @@ -441,37 +452,37 @@ SUBROUTINE aed_pesticides_load_params(data, dbase, count, list)
pst_name = '0'
DO ns = 1, data%pesticides(i)%num_sorb
pst_name(1:1) = CHAR(ICHAR('0') + ns)
data%id_psta(i,ns) = aed_define_variable( &
TRIM(data%pesticides(i)%name)//'_'//TRIM(pst_name), &
'mmol/m3', 'pesticide sorbed concentration', &
min_conc, &
minimum=min_conc, &
data%id_psta(i,ns) = aed_define_variable( &
TRIM(data%pesticides(i)%name)//'_'//TRIM(pst_name),&
'mg/m3', 'pesticide sorbed concentration', &
min_conc, &
minimum=min_conc, &
mobility = zero_)
ENDDO
ENDIF

IF (data%simSediment) THEN
data%id_psts(i) = aed_define_sheet_variable( TRIM(data%pesticides(i)%name)//'_sed', 'mmol/m2', 'sorbed pesticides in sediment')
data%id_pstw(i) = aed_define_sheet_variable( TRIM(data%pesticides(i)%name)//'_pw', 'mmol/m2', 'porewater pesticides in sediment')
data%id_psts(i) = aed_define_sheet_variable( TRIM(data%pesticides(i)%name)//'_sed', 'mg/m2', 'sorbed pesticides in sediment',data%pesticides(i)%pst_initial_sed*0.5 )
data%id_pstw(i) = aed_define_sheet_variable( TRIM(data%pesticides(i)%name)//'_pw', 'mg/m2', 'porewater pesticides in sediment',data%pesticides(i)%pst_initial_sed*0.5)
ENDIF

!data%id_total(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_t', 'orgs/m3', 'total')
IF ( diag_level >= 2 ) THEN
data%id_atmvolat(i) = &
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_atm', 'mmol/m2/d', 'volatilisation')
data%id_sedflux(i) = &
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_dsf', 'mmol/m2/d', 'dissolved sediment flux')
data%id_resus(i) = &
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_res', 'mmol/m2/d', 'resuspension flux')
data%id_settling(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_set', 'mmol/m3/d', 'settling rate')
data%id_sorption(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_srp', 'mmol/m3/d', 'sorption rate')
data%id_photolysis(i)= aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_pht', 'mmol/m3/d', 'photolysis rate')
data%id_hydrolysis(i)= aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_hyd', 'mmol/m3/d', 'hydrolysis rate')
data%id_uptake(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_upt', 'mmol/m3/d', 'uptake rate')
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_dsf', 'mg/m2/d', 'dissolved sediment flux')
IF (data%simVolatilisation) data%id_atmvolat(i) = &
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_atm', 'mg/m2/d', 'volatilisation')
IF (data%simResuspension) data%id_resus(i) = &
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_res', 'mg/m2/d', 'resuspension flux')
data%id_settling(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_set', 'mg/m3/d', 'settling rate')
data%id_sorption(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_srp', 'mg/m3/d', 'sorption rate')
data%id_photolysis(i)= aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_pht', 'mg/m3/d', 'photolysis rate')
data%id_hydrolysis(i)= aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_hyd', 'mg/m3/d', 'hydrolysis rate')
data%id_uptake(i) = aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_upt', 'mg/m3/d', 'uptake rate')
data%id_total(i) = &
aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_tot', 'mmol/m3' , 'total pesticide concentration')
aed_define_diag_variable( TRIM(data%pesticides(i)%name)//'_tot', 'mg/m3' , 'total pesticide concentration')
IF (data%simSediment) data%id_tot_s(i) = &
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_tot_sed', 'mmol/m2' , 'total pesticide concentration in the sediment')
aed_define_sheet_diag_variable( TRIM(data%pesticides(i)%name)//'_tot_sed', 'mg/m2' , 'total pesticide concentration in the sediment')
ENDIF
ENDDO
DEALLOCATE(pd)
Expand Down Expand Up @@ -573,15 +584,15 @@ SUBROUTINE aed_calculate_surface_pesticides(data,column,layer_idx)
vel=vel,depth=depth,schmidt_model=2,piston_model=data%pst_piston_model)

volat = k600 * pst
ENDIF

!-----------------------------------------------
! Set surface exchange value (mmmol/m2/s) for AED ODE solution
_FLUX_VAR_T_(data%id_pstd(pst_i)) = volat
!-----------------------------------------------
! Set surface exchange value (mmmol/m2/s) for AED ODE solution
_FLUX_VAR_T_(data%id_pstd(pst_i)) = volat

!-----------------------------------------------
! Set surface exchange value (mmmol/m2/d) as a diagnostic
_DIAG_VAR_S_(data%id_atmvolat(pst_i)) = volat * secs_per_day
!-----------------------------------------------
! Set surface exchange value (mmmol/m2/d) as a diagnostic
_DIAG_VAR_S_(data%id_atmvolat(pst_i)) = volat * secs_per_day
ENDIF

ENDDO

Expand Down Expand Up @@ -739,7 +750,7 @@ SUBROUTINE aed_calculate_benthic_pesticides(data,column,layer_idx)
!LOCALS
AED_REAL :: ss ! State
INTEGER :: pst_i, ss_i
AED_REAL :: diss_flux, sett_flux, part_flux, hydrolysis
AED_REAL :: diss_flux, sett_flux, part_flux, hydrolysis, resus_flux
AED_REAL :: pest_d, pest_sed_d, pest_sed_w
AED_REAL :: PSTtot, PSTpar, PSTdis

Expand Down Expand Up @@ -785,6 +796,14 @@ SUBROUTINE aed_calculate_benthic_pesticides(data,column,layer_idx)
! Sedimentation flux
part_flux = - _DIAG_VAR_(data%id_settling(pst_i)) / secs_per_day

! Resuspension flux
resus_flux = zero_
IF( data%resuspension > 0 ) THEN
resus_flux = _DIAG_VAR_S_(data%id_l_resus) * pest_sed_d ! g/m2/s * gPST/gSed
IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_resus(pst_i)) = resus_flux * secs_per_day
ENDIF

! Now set kinetic flux for breakdown
hydrolysis = data%pesticides(pst_i)%Rhydrol * (data%pesticides(pst_i)%theta_hydrol**(temp-20.0))

Expand All @@ -794,19 +813,21 @@ SUBROUTINE aed_calculate_benthic_pesticides(data,column,layer_idx)

! Update pools
_FLUX_VAR_B_(data%id_pstw(pst_i)) = _FLUX_VAR_B_(data%id_pstw(pst_i)) - diss_flux - hydrolysis*pest_sed_w
_FLUX_VAR_B_(data%id_psts(pst_i)) = _FLUX_VAR_B_(data%id_psts(pst_i)) + part_flux - hydrolysis*pest_sed_d !- resus_flux
_FLUX_VAR_B_(data%id_psts(pst_i)) = _FLUX_VAR_B_(data%id_psts(pst_i)) + part_flux - hydrolysis*pest_sed_d - resus_flux

! Add to respective pools in water (dissolved)
_FLUX_VAR_(data%id_pstd(pst_i)) = _FLUX_VAR_(data%id_pstd(pst_i)) + diss_flux
DO ss_i=1,data%pesticides(pst_i)%num_sorb
_FLUX_VAR_(data%id_psta(pst_i,ss_i)) = _FLUX_VAR_(data%id_psta(pst_i,ss_i)) &
+ resus_flux/data%pesticides(pst_i)%num_sorb
ENDDO

IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_sedflux(pst_i)) = diss_flux * secs_per_day

IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_resus(pst_i)) = zero_ * secs_per_day

IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_tot_s(pst_i)) = PSTtot

ENDDO
ELSE
! No sediment pool is resolved, but still predict a generic diss flux
Expand All @@ -815,13 +836,22 @@ SUBROUTINE aed_calculate_benthic_pesticides(data,column,layer_idx)

! Flux from the sediment
_FLUX_VAR_(data%id_pstd(pst_i)) = _FLUX_VAR_(data%id_pstd(pst_i)) + diss_flux
!_FLUX_VAR_B_(data%id_pstd(pst_i)) = _FLUX_VAR_B_(data%id_pstd(pst_i)) + diss_flux

! Resuspension flux
resus_flux = zero_
IF( data%resuspension > 0 ) THEN
resus_flux = _DIAG_VAR_S_(data%id_l_resus) * data%pesticides(pst_i)%pst_initial_sed ! g/m2/s * gPST/gSed
DO ss_i=1,data%pesticides(pst_i)%num_sorb
_FLUX_VAR_(data%id_psta(pst_i,ss_i)) = _FLUX_VAR_(data%id_psta(pst_i,ss_i)) &
+ resus_flux/data%pesticides(pst_i)%num_sorb
ENDDO
IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_resus(pst_i)) = resus_flux * secs_per_day
ENDIF

IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_sedflux(pst_i)) = diss_flux * secs_per_day

IF ( diag_level >= 2 ) &
_DIAG_VAR_S_ (data%id_resus(pst_i)) = zero_ * secs_per_day
ENDDO
ENDIF
END SUBROUTINE aed_calculate_benthic_pesticides
Expand Down

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