This is a work in progress, in a very alpha stage.
The Solid State Kinetics toolbox provides a collection of functions for numerical work in solid state kinetics. It currently features:
- Common general reaction models (Avrami, Geometrical, etc)
- Temperature integral evaluation and approximations (Senum-Yang)
- Easy single-step reaction simulation (just set model, Ea and A)
- Isoconversional analysis methods (Ozawa-Flynn-Wall, Nonlinear (Vyazovkin), etc).
Dependencies are just the python numerical stack (numpy, scipy and matplotlib). The code was developed directly from the formulae on the literature:
- Basics and applications of solid-state kinetics: A pharmaceutical perspective
- ICTAC Kinetics Committee recommendations for performing kinetic computations on thermal analysis data
Emails regarding this topic will be very appreciated. For full disclosure: I'm an "information engineering" (fancy name for computer science) student, not a physics or materials science specialist. If you find errors or have suggestions pertaining the code, please let me know.
TODO List:
- Clean code up (some parts are messy)
- Fix multiple isoconversional method implementations.
- Test nonisothermal simulation code with more examples.
- Do a proper setup.py for uploading module to PyPi.