Multi-scale electrochemical modeling
Recently, an increasing numbrer applications in electrochemistry uses complex electrode designs, comprising highly porous materials, gas diffusion systems, solid electrolyte membranes, etc. To model such systems, both kinetics and mass transport have to be treated on an equal footing. CatINT provides an interface between both regimes by coupling CatMAP which solves the mean-field rate equations in the steady-state approximation with COMSOL which models all mass transport related equations. The program package is under active development, open source and contributions are always welcome!
Documentation: https://catint.readthedocs.io/en/latest/
Source code: https://github.com/sringe/CatINT