ABSTRACT:

MODFLOW, Pht3D and PEST++ were used to implement a reactive transport model for the swelling of clay-sulfate rocks. This composite resource includes both the inputs to and major outputs from PEST++ used for parameter estimation of the reactive transport model. The files needed for the model setup and an automated run of the model in PEST++ are compiled in theModel_Setup folder. The Python script "RadModel.py" is used to generate the MODFLOW and PHT3D input files, while the "PostProcessing.py" script calculates changes in heave and volume from the model outputs, subsequently used for calibration in PEST++. Further instructions are given in the "README.txt" file. The final results and model files are summarized in the "FinalRun" folder, while the analysis of the PEST++ results can be found in the "Uncertainty" folder.