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Add effective surface tension #229

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d0eec18
Add effective surface tension
Jim-Xu Jul 16, 2026
e05a518
fix format
Jim-Xu Jul 16, 2026
592fb7d
Fix formatting
Jim-Xu Jul 16, 2026
c221088
Merge branch 'compdyn:master' into org_film
Jim-Xu Jul 16, 2026
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42 changes: 21 additions & 21 deletions scenarios/1_urban_plume/aero_data.dat
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Original file line number Diff line number Diff line change
@@ -1,21 +1,21 @@
# dens (kg/m^3) ions in soln (1) molec wght (kg/mole) kappa (1) abifm_m (1) abifm_c (1)
SO4 1800 0 96d-3 0.65 0 0
NO3 1800 0 62d-3 0.65 0 0
Cl 2200 0 35.5d-3 1.28 0 0
NH4 1800 0 18d-3 0.65 0 0
MSA 1800 0 95d-3 0.53 0 0
ARO1 1400 0 150d-3 0.1 0 0
ARO2 1400 0 150d-3 0.1 0 0
ALK1 1400 0 140d-3 0.1 0 0
OLE1 1400 0 140d-3 0.1 0 0
API1 1400 0 184d-3 0.1 0 0
API2 1400 0 184d-3 0.1 0 0
LIM1 1400 0 200d-3 0.1 0 0
LIM2 1400 0 200d-3 0.1 0 0
CO3 2600 0 60d-3 0.53 0 0
Na 2200 0 23d-3 1.28 0 0
Ca 2600 0 40d-3 0.53 0 0
OIN 2600 0 1d-3 0.1 0 0
OC 1000 0 1d-3 0.001 0 0
BC 1800 0 1d-3 0 0 0
H2O 1000 0 18d-3 0 0 0
# dens (kg/m^3) ions in soln (1) molec wght (kg/mole) kappa (1) abifm_m (1) abifm_c (1) surface tension (J m^{-2})
SO4 1800 0 96d-3 0.65 0 0 0.073
NO3 1800 0 62d-3 0.65 0 0 0.073
Cl 2200 0 35.5d-3 1.28 0 0 0.073
NH4 1800 0 18d-3 0.65 0 0 0.073
MSA 1800 0 95d-3 0.53 0 0 0.03
ARO1 1400 0 150d-3 0.1 0 0 0.03
ARO2 1400 0 150d-3 0.1 0 0 0.03
ALK1 1400 0 140d-3 0.1 0 0 0.03
OLE1 1400 0 140d-3 0.1 0 0 0.03
API1 1400 0 184d-3 0.1 0 0 0.03
API2 1400 0 184d-3 0.1 0 0 0.03
LIM1 1400 0 200d-3 0.1 0 0 0.03
LIM2 1400 0 200d-3 0.1 0 0 0.03
CO3 2600 0 60d-3 0.53 0 0 0.073
Na 2200 0 23d-3 1.28 0 0 0.073
Ca 2600 0 40d-3 0.53 0 0 0.073
OIN 2600 0 1d-3 0.1 0 0 0
OC 1000 0 1d-3 0.001 0 0 0.03
BC 1800 0 1d-3 0 0 0 0
H2O 1000 0 18d-3 0 0 0 0.073
20 changes: 18 additions & 2 deletions scenarios/1_urban_plume/urban_plume_process.F90
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Expand Up @@ -26,10 +26,12 @@ program process
real(kind=dp), allocatable :: times(:), dry_diameters(:), num_concs(:), &
dry_masses(:), masses(:), bc_masses(:), bc_fracs(:), &
crit_rhs(:), scs(:), num_dist(:), &
diam_bc_dist(:,:), diam_sc_dist(:,:)
diam_bc_dist(:,:), diam_sc_dist(:,:), &
crit_rhs_est(:), scs_est(:), diam_sc_est_dist(:,:)
type(stats_1d_t) :: stats_num_dist, stats_d_alpha, stats_tot_num_conc, &
stats_tot_mass_conc, stats_d_gamma, stats_chi
type(stats_2d_t) :: stats_diam_bc_dist, stats_diam_sc_dist
type(stats_2d_t) :: stats_diam_bc_dist, stats_diam_sc_dist, &
stats_diam_sc_est_dist
character(len=AERO_NAME_LEN), allocatable :: mixing_state_groups(:,:)

call pmc_mpi_init()
Expand All @@ -48,6 +50,7 @@ program process
mixing_state_groups(3,:) = ["SO4 ", "NO3 ", "NH4 ", " "]

scs = [ real(kind=dp) :: ] ! silence compiler warnings
scs_est = [ real(kind=dp) :: ]
bc_fracs = [ real(kind=dp) :: ]

do i_index = 1,n_index
Expand Down Expand Up @@ -90,6 +93,14 @@ program process
sc_grid, scs, num_concs)
call stats_2d_add(stats_diam_sc_dist, diam_sc_dist)

! critical supersaturation using the effective surface tension (EST)
crit_rhs_est = aero_state_crit_rel_humids_est(aero_state, aero_data, &
env_state)
scs_est = crit_rhs_est - 1d0
diam_sc_est_dist = bin_grid_histogram_2d(diam_grid, dry_diameters, &
sc_grid, scs_est, num_concs)
call stats_2d_add(stats_diam_sc_est_dist, diam_sc_est_dist)

call aero_state_mixing_state_metrics(aero_state, aero_data, &
d_alpha, d_gamma, chi, groups=mixing_state_groups)

Expand Down Expand Up @@ -119,6 +130,11 @@ program process
dim_name_1="diam", dim_name_2="sc", unit="m^{-3}")
call stats_2d_clear(stats_diam_sc_dist)

call stats_2d_output_netcdf(stats_diam_sc_est_dist, ncid, &
"diam_sc_est_dist", dim_name_1="diam", dim_name_2="sc", &
unit="m^{-3}")
call stats_2d_clear(stats_diam_sc_est_dist)

call pmc_nc_close(ncid)
end do

Expand Down
42 changes: 21 additions & 21 deletions scenarios/2_urban_plume2/aero_data.dat
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Original file line number Diff line number Diff line change
@@ -1,21 +1,21 @@
# dens (kg/m^3) ions in soln (1) molec wght (kg/mole) kappa (1) abifm_m (1) abifm_c (1)
SO4 1800 0 96d-3 0.65 0 0
NO3 1800 0 62d-3 0.65 0 0
Cl 2200 0 35.5d-3 1.28 0 0
NH4 1800 0 18d-3 0.65 0 0
MSA 1800 0 95d-3 0.53 0 0
ARO1 1400 0 150d-3 0.1 0 0
ARO2 1400 0 150d-3 0.1 0 0
ALK1 1400 0 140d-3 0.1 0 0
OLE1 1400 0 140d-3 0.1 0 0
API1 1400 0 184d-3 0.1 0 0
API2 1400 0 184d-3 0.1 0 0
LIM1 1400 0 200d-3 0.1 0 0
LIM2 1400 0 200d-3 0.1 0 0
CO3 2600 0 60d-3 0.53 0 0
Na 2200 0 23d-3 1.28 0 0
Ca 2600 0 40d-3 0.53 0 0
OIN 2600 0 1d-3 0.1 0 0
OC 1000 0 1d-3 0.001 0 0
BC 1800 0 1d-3 0 0 0
H2O 1000 0 18d-3 0 0 0
# dens (kg/m^3) ions in soln (1) molec wght (kg/mole) kappa (1) abifm_m (1) abifm_c (1) surface tension (J m^{-2})
SO4 1800 0 96d-3 0.65 0 0 0.073
NO3 1800 0 62d-3 0.65 0 0 0.073
Cl 2200 0 35.5d-3 1.28 0 0 0.073
NH4 1800 0 18d-3 0.65 0 0 0.073
MSA 1800 0 95d-3 0.53 0 0 0.03
ARO1 1400 0 150d-3 0.1 0 0 0.03
ARO2 1400 0 150d-3 0.1 0 0 0.03
ALK1 1400 0 140d-3 0.1 0 0 0.03
OLE1 1400 0 140d-3 0.1 0 0 0.03
API1 1400 0 184d-3 0.1 0 0 0.03
API2 1400 0 184d-3 0.1 0 0 0.03
LIM1 1400 0 200d-3 0.1 0 0 0.03
LIM2 1400 0 200d-3 0.1 0 0 0.03
CO3 2600 0 60d-3 0.53 0 0 0.073
Na 2200 0 23d-3 1.28 0 0 0.073
Ca 2600 0 40d-3 0.53 0 0 0.073
OIN 2600 0 1d-3 0.1 0 0 0
OC 1000 0 1d-3 0.001 0 0 0.03
BC 1800 0 1d-3 0 0 0 0
H2O 1000 0 18d-3 0 0 0 0.073
42 changes: 21 additions & 21 deletions scenarios/3_condense/aero_data.dat
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Original file line number Diff line number Diff line change
@@ -1,21 +1,21 @@
# dens (kg/m^3) ions in soln (1) molec wght (kg/mole) kappa (1) abifm_m (1) abifm_c (1)
SO4 1800 1 96d-3 0 0 0
NO3 1800 1 62d-3 0 0 0
Cl 2200 1 35.5d-3 0 0 0
NH4 1800 1 18d-3 0 0 0
MSA 1800 0 95d-3 0.53 0 0
ARO1 1400 0 150d-3 0.1 0 0
ARO2 1400 0 150d-3 0.1 0 0
ALK1 1400 0 140d-3 0.1 0 0
OLE1 1400 0 140d-3 0.1 0 0
API1 1400 0 184d-3 0.1 0 0
API2 1400 0 184d-3 0.1 0 0
LIM1 1400 0 200d-3 0.1 0 0
LIM2 1400 0 200d-3 0.1 0 0
CO3 2600 1 60d-3 0 0 0
Na 2200 1 23d-3 0 0 0
Ca 2600 1 40d-3 0 0 0
OIN 2600 0 1d-3 0.1 0 0
OC 1000 0 1d-3 0.1 0 0
BC 1800 0 1d-3 0 0 0
H2O 1000 0 18d-3 0 0 0
# dens (kg/m^3) ions in soln (1) molec wght (kg/mole) kappa (1) abifm_m (1) abifm_c (1) surface tension (J m^{-2})
SO4 1800 1 96d-3 0 0 0 0.073
NO3 1800 1 62d-3 0 0 0 0.073
Cl 2200 1 35.5d-3 0 0 0 0.073
NH4 1800 1 18d-3 0 0 0 0.073
MSA 1800 0 95d-3 0.53 0 0 0.03
ARO1 1400 0 150d-3 0.1 0 0 0.03
ARO2 1400 0 150d-3 0.1 0 0 0.03
ALK1 1400 0 140d-3 0.1 0 0 0.03
OLE1 1400 0 140d-3 0.1 0 0 0.03
API1 1400 0 184d-3 0.1 0 0 0.03
API2 1400 0 184d-3 0.1 0 0 0.03
LIM1 1400 0 200d-3 0.1 0 0 0.03
LIM2 1400 0 200d-3 0.1 0 0 0.03
CO3 2600 1 60d-3 0 0 0 0.073
Na 2200 1 23d-3 0 0 0 0.073
Ca 2600 1 40d-3 0 0 0 0.073
OIN 2600 0 1d-3 0.1 0 0 0
OC 1000 0 1d-3 0.1 0 0 0.03
BC 1800 0 1d-3 0 0 0 0
H2O 1000 0 18d-3 0 0 0 0.073
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