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polykin.properties.diffusion¤

DL_Hayduk_Minhas ¤

DL_Hayduk_Minhas(
    T: float,
    method: Literal["paraffin", "aqueous"],
    MA: float,
    rhoA: float,
    viscB: float,
) -> float

Estimate the infinite-dilution coefficient of a solute A in a liquid solvent B, \(D^0_{AB}\), using the Hayduk-Minhas method.

References

  • RC Reid, JM Prausniz, and BE Poling. The properties of gases & liquids 4th edition, 1986, p. 602.
PARAMETER DESCRIPTION
T

Temperature. Unit = K.

TYPE: float

method

Method selection. Chose 'paraffin' for normal paraffin solutions and 'aqueous' for solutes in aqueous solutions.

TYPE: Literal['paraffin', 'aqueous']

MA

Molar mass of solute A. Unit = kg/mol.

TYPE: float

rhoA

Density of solute A at the normal boiling point. Unit = kg/m³.

TYPE: float

viscB

Viscostity of solvent B. Unit = Pa.s.

TYPE: float

RETURNS DESCRIPTION
float

Diffusion coefficient of A in B at infinite dilution. Unit = m²/s.
See also

Examples:

Estimate the diffusion coefficient of vinyl chloride through liquid water.

>>> from polykin.properties.diffusion import DL_Hayduk_Minhas
>>> D = DL_Hayduk_Minhas(
...     T=298.,           # temperature
...     method='aqueous', # equation for aqueous solutions
...     MA=62.5e-3,       # molar mass of vinyl chloride
...     rhoA=910.,        # density of vinyl chloride at the boiling point
...     viscB=0.89e-3     # viscosity of water at solution temperature
...     )
>>> print(f"{D:.2e} m²/s")
1.26e-09 m²/s
Source code in src/polykin/properties/diffusion/liquid.py 
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def DL_Hayduk_Minhas(T: float,
                     method: Literal['paraffin', 'aqueous'],
                     MA: float,
                     rhoA: float,
                     viscB: float,
                     ) -> float:
    r"""Estimate the infinite-dilution coefficient of a solute A in a liquid
    solvent B, $D^0_{AB}$, using the Hayduk-Minhas method.

    **References**

    *   RC Reid, JM Prausniz, and BE Poling. The properties of gases & liquids
        4th edition, 1986, p. 602.

    Parameters
    ----------
    T : float
        Temperature. Unit = K.
    method : Literal['paraffin', 'aqueous']
        Method selection. Chose `'paraffin'` for normal paraffin solutions and
        `'aqueous'` for solutes in aqueous solutions.
    MA : float
        Molar mass of solute A. Unit = kg/mol.
    rhoA : float
        Density of solute A at the normal boiling point. Unit = kg/m³.
    viscB : float
        Viscostity of solvent B. Unit = Pa.s.

    Returns
    -------
    float
        Diffusion coefficient of A in B at infinite dilution. Unit = m²/s.

    See also
    --------
    * [`DL_Wilke_Chang`](DL_Wilke_Chang.md): alternative method.

    Examples
    --------
    Estimate the diffusion coefficient of vinyl chloride through liquid water.

    >>> from polykin.properties.diffusion import DL_Hayduk_Minhas
    >>> D = DL_Hayduk_Minhas(
    ...     T=298.,           # temperature
    ...     method='aqueous', # equation for aqueous solutions
    ...     MA=62.5e-3,       # molar mass of vinyl chloride
    ...     rhoA=910.,        # density of vinyl chloride at the boiling point
    ...     viscB=0.89e-3     # viscosity of water at solution temperature
    ...     )
    >>> print(f"{D:.2e} m²/s")
    1.26e-09 m²/s
    """
    VA = 1e6*MA/rhoA

    if method == 'paraffin':
        epsilon = 10.2/VA - 0.791
        DAB0 = 13.3e-12*T**1.47*(viscB*1e3)**epsilon/VA**0.71
    elif method == 'aqueous':
        epsilon = 9.58/VA - 1.12
        DAB0 = 1.25e-12*(VA**-0.19 - 0.292)*T**1.52*(viscB*1e3)**epsilon
    else:
        raise ValueError(f"Invalid `method` input: {method}")

    return DAB0