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Database of reported pure-component Xe and Kr adsorption isotherms in MOFs and porous organic cage materials

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CorySimon/XeKrMOFAdsorptionSurvey

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Xe/Kr adsorption isotherm survey

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

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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.

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Database of reported pure-component Xe and Kr adsorption isotherms in MOFs and porous organic cage materials

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