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Activity Coefficients

Particula Index / Particula / Activity / Activity Coefficients

Auto-generated documentation for particula.activity.activity_coefficients module.

bat_activity_coefficients

Show source in activity_coefficients.py:23

Calculate the activity coefficients for water and organic matter in organic-water mixtures.

Arguments

  • molar_mass_ratio : Ratio of the molecular weight of water to the molecular weight of organic matter.
  • organic_mole_fraction : Molar fraction of organic matter in the mixture.
  • oxygen2carbon : Oxygen to carbon ratio in the organic compound.
  • density : Density of the mixture, in kg/m^3.
  • functional_group : Optional functional group(s) of the organic compound, if applicable.

Returns

  • A tuple containing the activity of water, activity of organic matter, mass fraction of water, and mass fraction of organic matter, gamma_water (activity coefficient), and gamma_organic (activity coefficient).

Signature

@validate_inputs(
    {
        "molar_mass_ratio": "positive",
        "organic_mole_fraction": "nonnegative",
        "oxygen2carbon": "nonnegative",
        "density": "positive",
    }
)
def bat_activity_coefficients(
    molar_mass_ratio: Union[float, NDArray[np.float64]],
    organic_mole_fraction: Union[float, NDArray[np.float64]],
    oxygen2carbon: Union[float, NDArray[np.float64]],
    density: Union[float, NDArray[np.float64]],
    functional_group: Optional[Union[str, List[str]]] = None,
) -> Tuple[
    Union[float, NDArray[np.float64]],
    Union[float, NDArray[np.float64]],
    Union[float, NDArray[np.float64]],
    Union[float, NDArray[np.float64]],
    Union[float, NDArray[np.float64]],
    Union[float, NDArray[np.float64]],
]: ...