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generate_pore.ipynb
Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Jupyter Notebook - 15.9 KB - MD5: f93613c78c2c28c6075480d22f0527aa
notebook to generate the pore which was used for the simulations. The porems package is needed. Please set the environment with the yaml file in the data set
open_thermoml.ipynb
Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Jupyter Notebook - 4.8 KB - MD5: 631f432a3e6cef1ed60524ad6e90db4c
Notebook to read the thermoml file with openff. Please set up first the environment with the yaml file
read_exp_data.ipynb
Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Jupyter Notebook - 56.0 KB - MD5: 5415e023aab0f80edfcc76533cce0576
notebook to read the yaml files with the experimental data which would be used for comparison with simulation data
results_notebook.ipynb
Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Jupyter Notebook - 20.8 KB - MD5: b37712161dac5c4955ad654c64cb0b77
Example notebook to display results and plots of the publication. Please run "conda env create -f environment.yml" with the environment file in the data set to install all necessary packages for the example notebook
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