poreana.adsorption.
calculate
(link_data, res_cutoff=1, is_normalize=True)¶This function calculates the values for the adsorption isotherms. This is done by counting the number of molecules inside the reservoir and within the pore over the whole simulation.
By normalizing the summation by the number of frames, the resulting value is converted to a surface specific concentration inside the pore and volume specific concentration within the reservoir.
The resulting value pair is a point in the adsorption isotherm.
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