thermo/acentric.py
def StielPolar(Tc=None, Pc=None, omega=None, CASRN='', Method=None,
               AvailableMethods=False):
    r'''This function handles the calculation of a chemical's Stiel Polar
    factor, directly through the definition of Stiel-polar factor if possible.
    Requires Tc, Pc, acentric factor, and a vapor pressure datum at Tr=0.6.

    Will automatically select a method to use if no Method is provided;
    returns None if the data is not available and cannot be calculated.

    .. math::
        x = \log P_r|_{T_r=0.6} + 1.70 \omega + 1.552

    Parameters
    ----------
    Tc : float
        Critical temperature of fluid [K]
    Pc : float
        Critical pressure of fluid [Pa]
    omega : float
        Acentric factor of the fluid [-]
    CASRN : string
        CASRN [-]

    Returns
    -------
    factor : float
        Stiel polar factor of compound
    methods : list, only returned if AvailableMethods == True
        List of methods which can be used to obtain Stiel polar factor with the
        given inputs

    Other Parameters
    ----------------
    Method : string, optional
        The method name to use. Only 'DEFINITION' is accepted so far.
        All valid values are also held in the list Stiel_polar_methods.
    AvailableMethods : bool, optional
        If True, function will determine which methods can be used to obtain
        Stiel-polar factor for the desired chemical, and will return methods
        instead of stiel-polar factor

    Notes
    -----
    Only one source is available for this function. It is:

        * 'DEFINITION', based on the definition of
          Stiel Polar Factor presented in [1]_, using vapor pressure data.

    A few points have also been published in [2]_, which may be used for
    comparison. Currently this is only used for a surface tension correlation.

    Examples
    --------
    >>> StielPolar(647.3, 22048321.0, 0.344, CASRN='7732-18-5')
    0.024581140348734376

    References
    ----------
    .. [1] Halm, Roland L., and Leonard I. Stiel. "A Fourth Parameter for the
       Vapor Pressure and Entropy of Vaporization of Polar Fluids." AIChE
       Journal 13, no. 2 (1967): 351-355. doi:10.1002/aic.690130228.
    .. [2] D, Kukoljac Miloš, and Grozdanić Dušan K. "New Values of the
       Polarity Factor." Journal of the Serbian Chemical Society 65, no. 12
       (January 1, 2000). http://www.shd.org.rs/JSCS/Vol65/No12-Pdf/JSCS12-07.pdf
    '''
    def list_methods():
        methods = []
        if Tc and Pc and omega:
            methods.append('DEFINITION')
        methods.append('NONE')
        return methods
    if AvailableMethods:
        return list_methods()
    if not Method:
        Method = list_methods()[0]
    if Method == 'DEFINITION':
        P = VaporPressure(CASRN=CASRN).T_dependent_property(Tc*0.6)
        if not P:
            factor = None
        else:
            Pr = P/Pc
            factor = log10(Pr) + 1.70*omega + 1.552
    elif Method == 'NONE':
        factor = None
    else:
        raise Exception('Failure in in function')
    return factor
def StielPolar(Tc=None, Pc=None, omega=None, CASRN='', Method=None,
               AvailableMethods=False):
    r'''This function handles the calculation of a chemical's Stiel Polar
    factor, directly through the definition of Stiel-polar factor if possible.
    Requires Tc, Pc, acentric factor, and a vapor pressure datum at Tr=0.6.

    Will automatically select a method to use if no Method is provided;
    returns None if the data is not available and cannot be calculated.

    .. math::
        x = \log P_r|_{T_r=0.6} + 1.70 \omega + 1.552

    Parameters
    ----------
    Tc : float
        Critical temperature of fluid [K]
    Pc : float
        Critical pressure of fluid [Pa]
    omega : float
        Acentric factor of the fluid [-]
    CASRN : string
        CASRN [-]

    Returns
    -------
    factor : float
        Stiel polar factor of compound
    methods : list, only returned if AvailableMethods == True
        List of methods which can be used to obtain Stiel polar factor with the
        given inputs

    Other Parameters
    ----------------
    Method : string, optional
        The method name to use. Only 'DEFINITION' is accepted so far.
        All valid values are also held in the list Stiel_polar_methods.
    AvailableMethods : bool, optional
        If True, function will determine which methods can be used to obtain
        Stiel-polar factor for the desired chemical, and will return methods
        instead of stiel-polar factor

    Notes
    -----
    Only one source is available for this function. It is:

        * 'DEFINITION', based on the definition of
          Stiel Polar Factor presented in [1]_, using vapor pressure data.

    A few points have also been published in [2]_, which may be used for
    comparison. Currently this is only used for a surface tension correlation.

    Examples
    --------
    >>> StielPolar(647.3, 22048321.0, 0.344, CASRN='7732-18-5')
    0.024581140348734376

    References
    ----------
    .. [1] Halm, Roland L., and Leonard I. Stiel. "A Fourth Parameter for the
       Vapor Pressure and Entropy of Vaporization of Polar Fluids." AIChE
       Journal 13, no. 2 (1967): 351-355. doi:10.1002/aic.690130228.
    .. [2] D, Kukoljac Miloš, and Grozdanić Dušan K. "New Values of the
       Polarity Factor." Journal of the Serbian Chemical Society 65, no. 12
       (January 1, 2000). http://www.shd.org.rs/JSCS/Vol65/No12-Pdf/JSCS12-07.pdf
    '''
    def list_methods():
        methods = []
        if Tc and Pc and omega:
            methods.append('DEFINITION')
        methods.append('NONE')
        return methods
    if AvailableMethods:
        return list_methods()
    if not Method:
        Method = list_methods()[0]
    if Method == 'DEFINITION':
        P = VaporPressure(CASRN=CASRN).T_dependent_property(Tc*0.6)
        if not P:
            factor = None
        else:
            Pr = P/Pc
            factor = log10(Pr) + 1.70*omega + 1.552
    elif Method == 'NONE':
        factor = None
    else:
        raise Exception('Failure in in function')
    return factor
def StielPolar ( Tc = None , Pc = None , omega = None , CASRN = '' , Method = None , AvailableMethods = False ) : def list_methods ( ) : methods = [ ] if Tc and Pc and omega : methods . append ( 'DEFINITION' ) methods . append ( 'NONE' ) return methods if AvailableMethods : return list_methods ( ) if not Method : Method = list_methods ( ) [ 0 ] if Method == 'DEFINITION' : P = VaporPressure ( CASRN = CASRN ) . T_dependent_property ( Tc * 0.6 ) if not P : factor = None else : Pr = P / Pc factor = log10 ( Pr ) + 1.70 * omega + 1.552 elif Method == 'NONE' : factor = None else : raise Exception ( 'Failure in in function' ) return factor
r'''This function handles the calculation of a chemical's Stiel Polar
    factor, directly through the definition of Stiel-polar factor if possible.
    Requires Tc, Pc, acentric factor, and a vapor pressure datum at Tr=0.6.

    Will automatically select a method to use if no Method is provided;
    returns None if the data is not available and cannot be calculated.

    .. math::
        x = \log P_r|_{T_r=0.6} + 1.70 \omega + 1.552

    Parameters
    ----------
    Tc : float
        Critical temperature of fluid [K]
    Pc : float
        Critical pressure of fluid [Pa]
    omega : float
        Acentric factor of the fluid [-]
    CASRN : string
        CASRN [-]

    Returns
    -------
    factor : float
        Stiel polar factor of compound
    methods : list, only returned if AvailableMethods == True
        List of methods which can be used to obtain Stiel polar factor with the
        given inputs

    Other Parameters
    ----------------
    Method : string, optional
        The method name to use. Only 'DEFINITION' is accepted so far.
        All valid values are also held in the list Stiel_polar_methods.
    AvailableMethods : bool, optional
        If True, function will determine which methods can be used to obtain
        Stiel-polar factor for the desired chemical, and will return methods
        instead of stiel-polar factor

    Notes
    -----
    Only one source is available for this function. It is:

        * 'DEFINITION', based on the definition of
          Stiel Polar Factor presented in [1]_, using vapor pressure data.

    A few points have also been published in [2]_, which may be used for
    comparison. Currently this is only used for a surface tension correlation.

    Examples
    --------
    >>> StielPolar(647.3, 22048321.0, 0.344, CASRN='7732-18-5')
    0.024581140348734376

    References
    ----------
    .. [1] Halm, Roland L., and Leonard I. Stiel. "A Fourth Parameter for the
       Vapor Pressure and Entropy of Vaporization of Polar Fluids." AIChE
       Journal 13, no. 2 (1967): 351-355. doi:10.1002/aic.690130228.
    .. [2] D, Kukoljac Miloš, and Grozdanić Dušan K. "New Values of the
       Polarity Factor." Journal of the Serbian Chemical Society 65, no. 12
       (January 1, 2000). http://www.shd.org.rs/JSCS/Vol65/No12-Pdf/JSCS12-07.pdf
r This function handles the calculation of a chemical s Stiel Polar factor directly through the definition of Stiel - polar factor if possible . Requires Tc Pc acentric factor and a vapor pressure datum at Tr = 0 . 6 .