
# Load the COSMO species
database = CosmoRSSpeciesDatabase()
water = database.exportSpecies('water')
sulfur_dioxide = database.exportSpecies('sulfur dioxide')
sulfur_dioxide.setAntoineA(4.37798 * bar)
sulfur_dioxide.setAntoineB(966.6 * Kelvin)
sulfur_dioxide.setAntoineC(-42.07 * Kelvin)

# Determine the gas solubility.
gas_solubility = GasSolubility(
    sulfur_dioxide,
    water,
    solvent_density=1*kiloGram/liter,
    temperature=298*Kelvin,
    parameters=CosmoRSParameters(),
)

# Retrieve the Henry constant.
h_cp = gas_solubility.henryConstantCP()[0].convertTo(molar/bar)
nlprint(f'The Henry constant of SO2 in water is {h_cp}')

# Retrieve the Henry volatility.
h_px = gas_solubility.henryVolatilityPX()[0].convertTo(bar)
nlprint(f'The Henry volatility of SO2 in water is {h_px}')

