PPeitsch / pkynetics

Pkynetics is a comprehensive library for thermal analysis kinetic methods, including traditional model-fitting and model-free methods, advanced computational techniques, machine learning approaches, and result visualization.
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Model-Free Methods module #6

Closed PPeitsch closed 1 month ago

PPeitsch commented 2 months ago

Model-Free Methods for Kinetic Analysis

  1. Friedman Method: A differential isoconversional method that uses the logarithm of the reaction rate versus the reciprocal of the absolute temperature at constant extents of conversion.

  2. Ozawa-Flynn-Wall (OFW) Method: An integral isoconversional method that uses the logarithm of the heating rate versus the reciprocal of the absolute temperature at constant extents of conversion.

  3. Kissinger-Akahira-Sunose (KAS) Method: An improved integral isoconversional method that provides better accuracy than OFW, especially at higher heating rates.

  4. Vyazovkin Method: An advanced isoconversional method that uses numerical integration to improve accuracy, especially for complex, multi-step reactions.

  5. Starink Method: A modification of the KAS method that aims to provide improved accuracy over a wider range of activation energy and heating rate values.

  6. Miura-Maki Method: A method based on the distributed activation energy model (DAEM) that can handle complex reactions with a distribution of activation energies.

  7. Master Plots Method: A model-free method that compares the experimental data with theoretical master plots to determine the most likely reaction mechanism.

These methods will be implemented in order, starting with the Friedman method.