Initial Henry constant#

Module calculating the initial henry constant.

pygaps.characterisation.initial_henry.initial_henry_slope(isotherm: PointIsotherm | ModelIsotherm, branch: str = 'ads', max_adjrms: int = 0.02, p_limits: tuple[float, float] = None, l_limits: tuple[float, float] = None, verbose: bool = False, **plot_parameters)[source]#

Calculate a henry constant based on the initial slope.

Parameters:

  • isotherm (PointIsotherm, ModelIsotherm) -- Isotherm to use for the calculation.

  • branch ({'ads', 'des'}, optional) -- Branch of the isotherm to use. It defaults to adsorption.

  • max_adjrms (float, optional) -- Maximum adjusted root mean square between the linear fit and isotherm data.

  • p_limits ([float, float]) -- Minimum and maximum pressure to take for the fitting routine.

  • l_limits ([float, float]) -- Minimum and maximum loading to take for the fitting routine.

  • verbose (bool, optional) -- Whether to print out extra information.

  • plot_parameters (dict, optional) -- Other parameters to be passed to the plotting function

Returns:

float -- Initial Henry's constant.

pygaps.characterisation.initial_henry.initial_henry_virial(isotherm: PointIsotherm | ModelIsotherm, optimization_params: dict = None, verbose: bool = False)[source]#

Calculate an initial Henry constant based on fitting the virial equation.

Parameters:

  • isotherm (PointIsotherm) -- Isotherm to use for the calculation.

  • verbose (bool, optional) -- Whether to print out extra information.

  • optimization_params (dict) -- Custom parameters to pass to SciPy.optimize.least_squares.

Returns:

float -- Initial Henry's constant.