PyCatKin Documentation

Welcome to the documentation of PyCatKin!

For a general idea of what the code does and how it works, see Code overview.

For minimal working examples of how to perform kinetic calculations of different types with PyCatKin, see Examples.

Contents:

• Installation
  • Download
  • Setup
  • Dependencies
• Code overview
  • Free energy components
  • Reaction barriers and energy
  • Energy span model
  • Microkinetic model
  • Reactor models
  • Structure of modules
• Examples
  • CO oxidation on a surface
  • CO oxidation in a reactor
  • Direct methane to methanol
  • Ethanol to 1,3-butadiene
• User interface (API)
  • PyCatKin
• How to cite
• Additional reading
• Glossary

Indices and tables

• Index

• Module Index

• Search Page