mf6rtm 0.2.0

Reactive transport model through MODFLOW 6 and PHREEQCRM

MF6RTM: Reactive Transport Model via the MODFLOW 6 and PHREEQCRM APIs

Benchmarks

Benchmark comparing model results against PHT3D are in benchmark/. Each folder contains a Jupyter notebook to write and execute an MF6RTM model via the MUP3D class. Additionally, PHT3D files are provided in the corresponding pht3d directory for each example.

Considerations

The current version is intended to work with structured grids (dis object in MF6), unstructured grids (disv) and one MF6 simulation that includes the flow and transport solutions. No support is currently provided for a 'flow then transport scheme,' meaning that advanced packages cannot be incorporated yet.

On the PHREEQC side, the following have been included:

• Solution
• Equilibrium phases
• Cation Exchange
• Surface Complexation
• Kinetic Phases

Most options for each phreeqc block can be passed by adding list with options. However, not all options had been tested, so please create an issue if any option is not working or crashing the model.

Software requirements

All dependencies and executables are included in this repo. This package extensively uses modflowapi and phreeqcrm

Installation

The package can be installed through pip as:

pip install mf6rtm

Developing

We recommend forking and cloning a local version of this repo. A development Conda environment is provided in the env.yml file, which should install all required dependencies to run tests and modify the package on the fly. To install the environment, use the following command:

conda env create -f env.yml

Funding

The developing of mf6rtm was kindly funded and supported by Intera, Inc.

Authors

Pablo Ortega (Portega)