1D-SEI-Model

D. Korff and S.C. DeCaluwe

Colorado School of Mines

Note: A 'frozen' version of this code, used to generate the figures in the ECS Interface article from the Spring 2019 Data Science issue, is saved in the ECS_Interface folder.

This model simulates the growth of the SEI (Solid Electrolyte Interphase) on a non-intercalating anode (in this case, tungsten).

The model is built upon the capabilities in the Cantera software suite, which facilitates incorporating chemical complexity in an efficient, theoretically-robust manner.

The model incorporates the following phenomena:

• Charge transfer reactions at the tungsten-electrolyte, tungsten-SEI and SEI-electrolyte interfaces.
• Capacitive double layer charging at the tungsten-electrolyte, tungsten-SEI and SEI-electrolyte interfaces.
• Chemical reactions between SEI species and between SEI and electrolyte species.

The model is written in python, and makes use of several python modules, which you will need to download before running the model. See the header for the file sei_1d_model.py for a list of these modules. We highly recommend using Conda to manage the various dependencies.

To run the model, simply::

1. Download the files in this directory,
2. Install the necessary dependencies
3. Open sei_1d_inputs.py and alter the input parameters as desired, and
4. Run from a command line via the command:

python sei_1d_model.py

You can also run the same file from any number of python-baseed IDEs.

For advanced operation, you can edit the thermo-chemistry in the cantera input (CTI) file (which is currently W_anode_chem_01072019.cti). It is recommended to copy and save the file under a new name before editing, rather than directly overwriting the present file.