InitDecaytor

Thermal decomposition of free-radical initiators

The purpose of this program is to simulate the thermal decomposition of free radical initiators based on reported kinetic data and a set of (virtual) experimental parameters, such as the concentration and temperature.

Currently, multiple charges of a variety of radical initiators are supported at a constant temperature. Alternatively, a temperature profile can be imported from the Huber SpyControl software. The end-time of the experiment can be visualized based on a desired threshold of initiator relative to its maximum concentration.

Developed on a fresh python install (v3.13) with the most recent package versions in June 2025. In case of issues, please consider updating your packages.

How to get started?

Install InitDecaytor:

pip install InitDecaytor

or upgrade if you've installed a previous version before:

pip install --upgrade InitDecaytor

Create a python script, for example GUI.py, containing the following code:

import InitDecaytor

if __name__ == '__main__':
    app = InitDecaytor.GUI()
    app.run(debug=True)

Finally, run the script:

python GUI.py

This will generate a link to open the user interface in your browser. (Ctrl+)Click the link or copy-paste it manually. Tested with Microsoft Edge.

License

InitDecaytor is available free of charge under an MIT License. See the LICENCE file for more details.

Changelog

0.4

• All important basic functions are now included in the GUI
  • Some invalid combinations of input elements are now captured
  • Everything seems to work fine, but no thorough checks for bugs performed yet

0.3

• Initial GUI

0.2

• Temperature profiles supported
  • CSV file from the Huber SpyControl software be imported
  • Should be readily expandable to other CSV formats/layouts

0.1

• Initial release