Dataset for "Estimation of free energy for gate opening in a series of flexible adsorbents based on adsorption observations"

Supporting dataset for: “Estimation of free energy for gate opening in a series of flexible adsorbents based on adsorption observations”, Sebastian Ehrling, Hiroki Miura, Stefan Kaskel and Jack D. Evans, 2023

Contains:

data: adsorption isotherms in .aif, .json and .csv format

fits: parameters for the model fits to the isotherms in .pkl and .csv format.

notebooks: python notebooks demonstrating how the isotherms were fit, analysed for enthalpy and free energy.