data and Python code to reproduce all plots in:
N. Gantzler, A. Henle, P. Thallapally, X. Fern, C. Simon. "Non-injective gas sensor arrays: identifying undetectable composition changes." Journal of Physics: Condensed Matter. (2021). link. preprint.
data
: contains experimentally measured gas adsorption isotherms in Co-MOF-74 and HKUST-1 as well as bulk gas density to convert from excess to absolute adsorption. sources of the data in header of file as a comment.IAST.jl
: main Jupyter Notebook to reproduce plots in the article.mayavi_viz.py
: run this to generate 3D plots afterIAST.jl
runs. it reads in data saved to file fromIAST.jl
. run aspython mayavi_viz.py HKUST-1
.