CODE

[ERIC94067]

Is this part included in the program you give?

df_N2 = pd.read_csv("N2.csv")
N2_isotherm = pyiast.ModelIsotherm(df_N2,
loading_key="Loading(mmol/g)",
pressure_key="P(bar)",
model="Henry")

df_CO2 = pd.read_csv("../CO2.csv")
CO2_isotherm = pyiast.ModelIsotherm(df_CO2,re_key="P(bar)",
model="Langmuir")

df_H2O = pd.read_csv("../H2O.csv")
H2O_isotherm = pyiast.ModelIsotherm(df_H2O,
loading_key="Loading(mmol/g)",
pressure_key="P(bar)",
fill_vaule=df_H2O["Loading(mmol/g)"].max())
#list of CO2,N2 and H2O oartial pressures (bar)
partial_pressures = [0.166,0.679,0.02]
component_loadings = pyiast.iast(partial_pressures,
[CO2_isotherm,N2_isotherm, H2O_isotherm])

total_pressure = 65.0 #total bulk gas pressure (bar)
adsorbed_mole_fralctions = [0.5,0.5] #deslired adsorbed mole fractions
gas_mole_fractions, component_loadings = pyiast.reverse_iast(
adsorbed_mole_fralctions,
total_pressure,
[ch3ch3_isotherm, ch4_isotherm])

I find this in paper but don't find it in code

[SimonEnsemble]

you already posted this issue and I answered it here:
#13