This folder contains the source files and examples for using Python Catalysis Kinetics (PyCatKin). PyCatKin provides a toolset for studying kinetics in heterogeneous catalysis from the energy landscape. Its modules provide functionality for plotting energy landscapes, energy span (ES) modelling, mean-field microkinetic (MK) modelling, and MK modelling with idealised flow reactor models (CSTRs).
There are several case studies in the examples folder demonstrating different use cases.
The documentation is hosted on pycatkin.readthedocs.io and is built automatically after each push.
The following papers used PyCatKin:
- Boje, et al., Catal. Sci. Technol. (2021)
- Tiburski, et al., ACS Nano (2021)
- Engedahl, et al., J. Phys. Chem. C (2021)
- Astrid Boje, Chalmers University of Technology, Sweden.
- Henrik Ström, Chalmers University of Technology, Sweden.
- Anders Hellman, Chalmers University of Technology, Sweden.
Please post any issues on the Git repo, and we will try to reply ASAP.
2021/09/28