pICNIK: A python package with isoconversional computations for non-isothermal kinetics

Published: 8 June 2022| Version 1 | DOI: 10.17632/dpwtnmjpj5.1
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Description

Isoconversional computations are widely-used methods to determine activation energies for thermally stimulated processes. pICNIK (python Isoconversional Computations for Non-Isothermal Kinetics) is an open-source module designed with the purpose of being a seed to a complete Python package to facilitate kinetic computations. It is object oriented with two classes: DataExtraction and ActivationEnergy. Five isoconversional methods were implemented: Friedmann's method, the Kissinger-Akahira-Sunose method, Ozawa-Flynn-Wall method, Vyazovkin and advanced Vyazovkin. This module allows to compute the activation energy from thermogravimetric data in minutes and the results can be exported as spreadsheet format or comma separated values files instead of traditional tedious and time consuming data processing. The module was validated with simulated data and two study cases: vaporization of n-decane and the thermal degradation of polypropylene.

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Physical Chemistry, Computational Physics, Kinetics

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