This repository contains data and code used to reproduce the following plot that characterizes the performance of several MOFs and porous organic cage materials for Xe/Kr separations relevant to used nuclear fuel reprocessing. This pertains to the article:
D. Banerjee, C. Simon, A. Plonka, R. Motkuri, J. Liu, X. Chen, B. Smit, J. Parise, M. Haranczyk, P. Thallapally. Metal Organic Framework with Optimal Adsorption, Separation, and Selectivity towards Xenon. Nature Communications. (2016) Under revision
Code is in the IPython Notebook (.ipynb) file.
Xe/Kr adsorption isotherm data is in the data folder.
The code saves figures of resulting Henry's law fits to the adsorption isotherm data in the folder fits.
The code writes a LaTeX code in the LaTeX folder to display the results nicely.
Crystal structures are present in xtal_structures.