Python scripts for generating OBL tables and XML-files for simulating multiphase reactive transport using the GEOSX platform (https://github.com/GEOSX/GEOSX). DARTS is required for generating the OBL tables.
To install darts, use the following code (NOTE: it might be easiest to start with a clean virtual environment with your desired python version, see https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html for more information):
pip install -i https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple dartsim
Furthermore, several additional packages are required, all can be installed with one simple command:
pip install -r requirements.txt
Several examples are given for generating XML-files (e.g., generate_xml_geosx_1D_benchmark.py). Currently there are three models which are added to this repository: binary compositional model, simple kinetics, and multiphase kinetics (i.e., generate_obl_operators_geosx.py these three cases are used). Other models are going to be added in the future. There is a limited to the number of supporting points that can currently be used. A four components system with 32-42-42-42 points has been tested, meaning 2.371 million control volumes in the (p, z1, z2, z3)-parameter space.
Feel free to experiment with the physics currently available, or modify the current files to suit your needs in terms of required physics. benchmark_model/model.py is where most of the parameters used in the model are specified. physics_sup/operator_evaluator_sup is where the properties are computed and assigned to the operators...