.. _characterisation-manual: Adsorbent material characterisation =================================== Overview -------- One of the main features of the pyGAPS framework is to allow standard isotherm characterisation techniques to be carried out in bulk for high throughput testing, as well as to disconnect adsorption data processing from the machine used to record it. The framework currently provides the following functionality for material characterisation: - BET surface area :mod:`~pygaps.characterisation.area_bet` - Langmuir surface area :mod:`~pygaps.characterisation.area_lang` - The t-plot method :mod:`~pygaps.characterisation.t_plots` - The :math:`\alpha_s` method :mod:`~pygaps.characterisation.alphas_plots` - Pore size distribution (PSD): - Mesoporous PSD calculations function :meth:`~pygaps.characterisation.psd_meso.psd_mesoporous` with the module containing the individual model references: :mod:`pygaps.characterisation.psd_meso` - Microporous PSD calculations function :meth:`~pygaps.characterisation.psd_micro.psd_microporous` with the module containing the individual model references: :mod:`~pygaps.characterisation.psd_micro` - Kernel fitting PSD functions, like DFT :meth:`~pygaps.characterisation.psd_kernel.psd_dft` with the module containing the individual model references: :mod:`~pygaps.characterisation.psd_kernel` - Enthalpy of adsorption determination: - Isosteric enthalpy through the Clausius-Clapeyron method (multiple isotherms at different temperatures): :meth:`~pygaps.characterisation.enth_sorp_clapeyron` - Isosteric enthalpy through the Whittaker method (from a model fit to an isotherm): :meth:`~pygaps.characterisation.enth_sorp_whittaker` - Dubinin-Radushevitch and Dubinin-Astakov plots (:meth:`~pygaps.characterisation.dr_da_plots.dr_plot`, :meth:`~pygaps.characterisation.dr_da_plots.da_plot`) - Initial Henry constant calculation :mod:`~pygaps.characterisation.initial_henry` More info about each function and its usage can be found on their respective page. .. caution:: Before using the provided characterisation functions, make sure you are aware of how :ref:`units ` work and how the backend :ref:`calculates ` adsorbate properties. .. _characterisation-manual-examples: Characterisation examples ------------------------- The best way to get familiarized with characterization functions is to check out the Jupyter notebooks in the :ref:`examples ` section.