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LiPb: fix composition and molar mass calculation #306

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LiPb: fix composition and molar mass calculation #306

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14 changes: 7 additions & 7 deletions h_transport_materials/property_database/lipb/lipb.py
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Original file line number Diff line number Diff line change
Expand Up @@ -16,14 +16,14 @@ def molar_mass_lipb(nb_li: int, nb_pb: int):
"""Returns the molar mass (kg/mol) of a LiPb compound

Args:
nb_li (int): the number of Li atoms
nb_pb (int): the number of Pb atoms
nb_li (int): Li atom %
nb_pb (int): Pb atom %

Returns:
float: the molar mass in kg/mol
"""

return nb_pb * molar_mass_Pb + nb_li * molar_mass_li
return nb_pb / 100 * molar_mass_Pb + nb_li / 100 * molar_mass_li


def atom_density_lipb(nb_li: int, nb_pb: int):
Expand All @@ -50,7 +50,7 @@ def atom_density_lipb(nb_li: int, nb_pb: int):


chan_solubility = Solubility(
S_0=4.7e-07 * atom_density_lipb(nb_li=17, nb_pb=1) * u.Pa**-0.5,
S_0=4.7e-07 * atom_density_lipb(nb_li=17, nb_pb=83) * u.Pa**-0.5,
E_S=9000 * u.J * u.mol**-1,
range=(573 * u.K, 773 * u.K),
source="chan_thermodynamic_1984",
Expand Down Expand Up @@ -146,7 +146,7 @@ def atom_density_lipb(nb_li: int, nb_pb: int):

reiter_solubility_data_H_y = reiter_solubility_data_H[:, 1] * u.atfr * u.Pa**-0.5

reiter_solubility_data_H_y *= atom_density_lipb(nb_li=17, nb_pb=1) # m-3 Pa-1/2
reiter_solubility_data_H_y *= atom_density_lipb(nb_li=17, nb_pb=83) # m-3 Pa-1/2

reiter_solubility_h = Solubility(
data_T=1000 / reiter_solubility_data_H[:, 0] * u.K,
Expand All @@ -162,7 +162,7 @@ def atom_density_lipb(nb_li: int, nb_pb: int):
reiter_solubility_data_D_y = (
reiter_solubility_data_D[:, 1] * u.atfr * u.Pa**-0.5
) # at.fr. Pa-1/2
reiter_solubility_data_D_y *= atom_density_lipb(nb_li=17, nb_pb=1) # m-3 Pa-1/2
reiter_solubility_data_D_y *= atom_density_lipb(nb_li=17, nb_pb=83) # m-3 Pa-1/2

reiter_solubility_d = Solubility(
data_T=reiter_solubility_data_D_T[np.isfinite(reiter_solubility_data_D_T)] * u.K,
Expand All @@ -172,7 +172,7 @@ def atom_density_lipb(nb_li: int, nb_pb: int):
)

reiter_solubility_t = Solubility(
S_0=2.32e-08 * u.atfr * u.Pa**-0.5 * atom_density_lipb(nb_li=17, nb_pb=1),
S_0=2.32e-08 * u.atfr * u.Pa**-0.5 * atom_density_lipb(nb_li=17, nb_pb=83),
E_S=1350 * u.J * u.mol**-1,
range=(508 * u.K, 700 * u.K),
source="reiter_solubility_1991",
Expand Down
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