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replace rd_insol with soluble_fraction #89

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Merged
pdziekan merged 1 commit into from
Jun 23, 2026
Merged

replace rd_insol with soluble_fraction #89

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5 changes: 2 additions & 3 deletions chem_conditions.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@
gstdev = 2.
n_tot = 566.e6 * rho_stp / rho_init
kappa = 0.61
rd_insol = 0.0
sol_frac = 1.0

# chem process toggling
chem_dsl = False
Expand Down Expand Up @@ -67,8 +67,7 @@
"CO2_a", "NH3_a", "HNO3_a"]}}'

# initial aerosol distribution
aerosol = '{"chem_aerosol": {"kappa": ' + str(kappa) + ', "rd_insol": ' + str(rd_insol) + ', "mean_r": [' + str(mean_r) + '], "gstdev": [' + str(gstdev) + '], "n_tot": [' + str(n_tot) + ']}}'

aerosol = '{"chem_aerosol": {"kappa": ' + str(kappa) + ', "sol_frac": ' + str(sol_frac) + ', "mean_r": [' + str(mean_r) + '], "gstdev": [' + str(gstdev) + '], "n_tot": [' + str(n_tot) + ']}}'
# saving parcel options as a dictionary
parcel_dict = {'dt': dt, 'z_max': z_max, 'outfreq': outfreq, 'w': w,\
'sstp_cond': sstp_cond, 'sstp_chem': sstp_chem,\
Expand Down
4 changes: 2 additions & 2 deletions long_test/test_ice_SD.py
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Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@ def test_ice_SD():
depo = True,
ice_nucl = True,
time_dep_ice_nucl = time_dep,
aerosol = '{"ammonium_sulfate": {"kappa": 0.61, "rd_insol": 0.5e-6, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}',
aerosol = '{"ammonium_sulfate": {"kappa": 0.61, "sol_frac": 0.1, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}',
outfreq = 4000,
out_bin = '{"liq": {"rght": 1, "moms": [0,3], "drwt": "wet", "nbin": 1, "lnli": "lin", "left": 5e-20}}',
outfile = outfile,
Expand All @@ -38,4 +38,4 @@ def test_ice_SD():
assert np.isclose(fnc.variables[variable][:][-1], fnc_ref.variables[variable][:][-1], rtol=1)
fnc.close()
fnc_ref.close()
subprocess.call(["rm", outfile])
subprocess.call(["rm", outfile])
4 changes: 2 additions & 2 deletions long_test/test_plot_ice_SD.py
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Expand Up @@ -41,7 +41,7 @@ def plot_profiles(fnc, output_name):
plt.savefig(os.path.join("plots/outputs/", output_name))

def test_plot_ice_SD():
for (rd_insol, output_name) in [("0.5e-6", "ice_SD_plot_het.svg"), ("0", "ice_SD_plot_hom.svg")]:
for (sol_frac, output_name) in [("0.1", "ice_SD_plot_het.svg"), ("1.0", "ice_SD_plot_hom.svg")]:
outfile = "onesim_plot.nc"
parcel(dt=1.,w=1.,sd_conc=100,
z_max = 5000.0,
Expand All @@ -52,7 +52,7 @@ def test_plot_ice_SD():
depo = True,
ice_nucl=True,
time_dep_ice_nucl=True,
aerosol = f'{{"ammonium_sulfate": {{"kappa": 0.61, "rd_insol": {rd_insol}, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}}}',
aerosol = f'{{"ammonium_sulfate": {{"kappa": 0.61, "sol_frac": {sol_frac}, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}}}',
outfreq = 100,
out_bin= '{"liq": {"rght": 1, "moms": [0,3], "drwt": "wet", "nbin": 1, "lnli": "lin", "left": 5e-20}}',
outfile=outfile)
Expand Down
2 changes: 1 addition & 1 deletion long_test/test_plot_schemes_ice.py
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Expand Up @@ -29,7 +29,7 @@ def run_scheme(scheme, time_dep, outfile):
depo = True,
ice_nucl=True,
time_dep_ice_nucl=time_dep,
aerosol = f'{{"ammonium_sulfate": {{"kappa": 0.61, "rd_insol": 0.5e-6, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}}}',
aerosol = f'{{"ammonium_sulfate": {{"kappa": 0.61, "sol_frac": 0.1, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}}}',
outfreq = 100,
out_bin= '{"liq": {"rght": 1, "moms": [3], "drwt": "wet", "nbin": 1, "lnli": "lin", "left": 5e-20}}',
outfile=outfile)
Expand Down
2 changes: 1 addition & 1 deletion long_test/test_timestep.py
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Expand Up @@ -45,7 +45,7 @@ def data(request):
parcel(dt=dt, outfreq = int(100/dt), outfile = outfile_nc,\
w = 1., T_0 = T_init, p_0 = p_init, r_0 = r_init, z_max = 200, \
sd_conc = 1000, \
aerosol = '{"ammonium_sulfate": {"kappa": 0.61, "rd_insol": 0.0, "mean_r": [5e-8], "gstdev": [1.5], "n_tot": [1e9]}}',
aerosol = '{"ammonium_sulfate": {"kappa": 0.61, "sol_frac": 1.0, "mean_r": [5e-8], "gstdev": [1.5], "n_tot": [1e9]}}',
out_bin = '{"radii": {"rght": 1, "moms": [0], "drwt": "wet", "nbin": 1, "lnli": "lin", "left": 1e-06}}'
)

Expand Down
2 changes: 1 addition & 1 deletion micro_lgrngn.py
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Expand Up @@ -24,7 +24,7 @@ def _micro_init(aerosol, opts, state):
lognormals = []
for i in range(len(dct["mean_r"])):
lognormals.append(lognormal(dct["mean_r"][i], dct["gstdev"][i], dct["n_tot"][i]))
dry_distros[(float(dct["kappa"]), float(dct["rd_insol"]))] = sum_of_lognormals(lognormals)
dry_distros[(float(dct["kappa"]), float(dct["sol_frac"]))] = sum_of_lognormals(lognormals)
opts_init.dry_distros = dry_distros

# better resolution for the SD tail
Expand Down
8 changes: 4 additions & 4 deletions parcel.py
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Expand Up @@ -35,7 +35,7 @@ def parcel(dt = .1, z_max = 200., w = 1., T_0 = 300., p_0 = 101300.,
time_dep_ice_nucl = False,
depo = False,
sd_conc = 64,
aerosol = '{"ammonium_sulfate": {"kappa": 0.61, "rd_insol": 0.0, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}',
aerosol = '{"ammonium_sulfate": {"kappa": 0.61, "sol_frac": 1.0, "mean_r": [0.02e-6], "gstdev": [1.4], "n_tot": [60.0e6]}}',
out_bin = '{"radii": {"rght": 0.01, "moms": [0], "drwt": "wet", "nbin": 1, "lnli": "log", "left": 1e-15}}',
SO2_g = 0., O3_g = 0., H2O2_g = 0., CO2_g = 0., HNO3_g = 0., NH3_g = 0.,
chem_dsl = False, chem_dsc = False, chem_rct = False,
Expand Down Expand Up @@ -71,11 +71,11 @@ def parcel(dt = .1, z_max = 200., w = 1., T_0 = 300., p_0 = 101300.,

aerosol (Optional[json str]): dict of dicts defining aerosol distribution, e.g.:

{"ammonium_sulfate": {"kappa": 0.61, "rd_insol": 0.0, "mean_r": [0.02e-6, 0.07e-7], "gstdev": [1.4, 1.2], "n_tot": [120.0e6, 80.0e6]}
"gccn" : {"kappa": 1.28, "rd_insol": 0.0, "mean_r": [2e-6], "gstdev": [1.6], "n_tot": [1e2]}}
{"ammonium_sulfate": {"kappa": 0.61, "sol_frac": 1.0, "mean_r": [0.02e-6, 0.07e-7], "gstdev": [1.4, 1.2], "n_tot": [120.0e6, 80.0e6]}
"gccn" : {"kappa": 1.28, "sol_frac": 1.0, "mean_r": [2e-6], "gstdev": [1.6], "n_tot": [1e2]}}

where kappa - hygroscopicity parameter (see doi:10.5194/acp-7-1961-2007)
rd_insol - insoluble dry radius
sol_frac - soluble volume fraction (0-1)
mean_r - lognormal distribution mean soluble dry radius [m] (list if multimodal distribution)
Comment on lines 72 to 79
gstdev - lognormal distribution geometric standard deviation (list if multimodal distribution)
n_tot - lognormal distribution total concentration under standard
Expand Down
6 changes: 3 additions & 3 deletions parcel_common.py
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Expand Up @@ -76,7 +76,7 @@ def _arguments_checking(opts, spectra, aerosol, ice_switch):
for name, dct in aerosol.items():
# TODO: check if name is valid netCDF identifier
# (http://www.unidata.ucar.edu/software/thredds/current/netcdf-java/CDM/Identifiers.html)
keys = ["kappa", "rd_insol", "mean_r", "n_tot", "gstdev"]
keys = ["kappa", "sol_frac", "mean_r", "n_tot", "gstdev"]
for key in keys:
if key not in dct:
raise Exception(">>" + key + "<< is missing in aerosol[" + name + "]")
Expand All @@ -85,8 +85,8 @@ def _arguments_checking(opts, spectra, aerosol, ice_switch):
raise Exception("invalid key >>" + key + "<< in aerosol[" + name + "]")
if dct["kappa"] <= 0:
raise Exception("kappa hygroscopicity parameter should be larger than 0 for aerosol[" + name + "]")
if dct["rd_insol"] < 0:
raise Exception("insoluble dry radius should be larger or equal to 0 for aerosol[" + name + "]")
if dct["sol_frac"] < 0 or dct["sol_frac"] > 1:
raise Exception("soluble fraction should be between 0 and 1 for aerosol[" + name + "]")
if type(dct["mean_r"]) != list:
raise Exception(">>mean_r<< key in aerosol["+ name +"] must be a list")
if type(dct["gstdev"]) != list:
Expand Down
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