Replication data to reproduce the results presented in J. Schneider & S. Kiemle, K. Heck, Y. Rothfuss, I. Braud, R. Helmig, J. Vanderborght (2024) Analysis of Experimental and Simulation Data of Evaporation-Driven Isotopic Fractionation in Unsaturated Porous Media. (Under review) Vadose Zone. The replication data contains numerical data sets generated via the numerical simulator tools DuMuX and SiSPAT-isotope and experimental data published by Rothfuss (2015). Further, this data set provides python scripts and a MatLAB script to reproduce the displayed figures in the linked publication.

Structure of the dataset:

input_experimental_data.tar.gz: contains the modified experimental data from Rotfuss et al.(2015). The raw data have been structured and organized to ease the evaluation and the comparison with the numerical simulation.

input_sispat_data.tar.gz: contains the numerical results derived by SiSPAT-isotope. This dataset aims to replicate the experiments.

input_dumux_data.tar.gz: contains the numerical results derived by DuMuX. This dataset aims to replicate the experiments.

input_sispat_data_sensitivity.tar.gz: contains the numerical results derived by SiSPAT-isotope. This dataset contains the data to analyze the model toward its sensitivity to the residual water saturation.

input_dumux_data_sensitivity.tar.gz: contains the numerical results derived by DuMuX. This dataset contains the data to analyze the model toward its sensitivity to the residual water saturation.

evaluation_scripts_comparison.tar.gz: contains all evaluation scripts to reproduce the figures dealing with comparing DuMuX, SiSPAT-isotope, and the experiments.

evaluation_scripts_sensitivity.tar.gz: contains all evaluation scripts to reproduce the figures dealing with comparing DuMuX and SiSPAT-isotope in terms of analyzing their sensitivity towards the residual water saturation.

The main focus lies on the folder evaluation_scripts_comparison.tar.gz and evaluation_scripts_sensitivity.tar.gz which contains all python scripts which have been used to further post-process all data which are stored in the other folders.

evaluation_scripts_comparison.tar.gz:

plot_depthprofiles_H2O18_all.py : plots the H2O18 isotope concentration over time for various depths, and compares the results for Dumux, SiSPAT-isotope and the experiments.

plot_depthprofiles_HDO_all.py : plots the HDO isotope concentration over time for various depths and compares the results for Dumux, SiSPAT-isotope, and the experiments.

plot_depthprofiles_Sat_all.py : plots the Saturation over time for various depths and compares the results for Dumux, SiSPAT-isotope, and the experiments.

plot_evaporation.py : plots the evaporation rate and the cumulative evaporation rate over the regarded time for Dumux, SiSPAT-isotope, and the experiments.

plot_evaporation_front.py : plots the evaporation front for the numerical results derived by Dumux, and compares a fine resolved resolution with different approximation methods.

plot_isotopeprofile.py : plots the isotope profiles over depth at specific days. The script can compare the solutions between Dumux, SiSPAT-isotope, and the experiments.

plot_isotopeprofile_close.py : plots a close-up near the soil surface of the isotope profile. This helps to focus on the area of interest. Currently, this only plots the results for Dumux

code_fig_10_11.R : plots the derivation process of the aerodynamic resistance in SiSPAT-isotope and the isotope profiles for different boundary conditions using SiSPAT-isotope.

evaluation_scripts_sensitivity.tar.gz:

plot_depthprofiles_all.py : compares both numerical models towards their sensitivity to the residual water saturation.

Python, 3.10