particula.activity.convert_functional_group

convert_functional_group

OH equivalent for the oxygen to carbon ratio and molar mass ratio.

Gorkowski, K., Preston, T. C., & Zuend, A. (2019). Relative-humidity-dependent organic aerosol thermodynamics Via an efficient reduced-complexity model. Atmospheric Chemistry and Physics https://doi.org/10.5194/acp-19-13383-2019

convert_to_oh_equivalent

convert_to_oh_equivalent(oxygen2carbon: Union[float, NDArray[float64]], molar_mass_ratio: Union[float, NDArray[float64]], functional_group: Optional[Union[list[str], str]] = None) -> Tuple[Union[float, NDArray[np.float64]], Union[float, NDArray[np.float64]]]

Just a pass through now, but will add the oh equivalent conversion.

Parameters:

• - oxygen2carbon –

  The oxygen to carbon ratio.

• - molar_mass_ratio –

  The molar mass ratio of water to organic matter.

• - functional_group –

  Optional functional group(s) of the organic compound, if applicable.

Returns:

• Tuple[Union[float, NDArray[float64]], Union[float, NDArray[float64]]] –
  • A tuple containing the converted oxygen to carbon ratio and molar mass ratio.

Source code in particula/activity/convert_functional_group.py

def convert_to_oh_equivalent(
    oxygen2carbon: Union[float, NDArray[np.float64]],
    molar_mass_ratio: Union[float, NDArray[np.float64]],
    functional_group: Optional[Union[list[str], str]] = None,
) -> Tuple[
    Union[float, NDArray[np.float64]], Union[float, NDArray[np.float64]]
]:
    """Just a pass through now, but will add the oh equivalent conversion.

    Args:
        - oxygen2carbon : The oxygen to carbon ratio.
        - molar_mass_ratio : The molar mass ratio of water to organic
          matter.
        - functional_group : Optional functional group(s) of the organic
          compound, if applicable.

    Returns:
        - A tuple containing the converted oxygen to carbon ratio and
          molar mass ratio.
    """
    if functional_group is None:
        return oxygen2carbon, molar_mass_ratio
    if functional_group == "alcohol":
        return oxygen2carbon + 1, molar_mass_ratio + 16  # fix this from SI
    raise ValueError("BAT functional group not recognized")