Advanced Fitting Method for the Kinetic Analysis of Thermogravimetric Data

Area of Science:

• Chemical Kinetics
• Materials Science
• Analytical Chemistry

Background:

• Thermogravimetric analysis (TGA) is crucial for studying solid-state reactions.
• Determining kinetic parameters (kinetic triplet) from TGA data is complex.
• Existing methods often require prior knowledge of reaction mechanisms.

Purpose of the Study:

• To develop an inverse problem solution for chemical kinetics analysis of TGA data.
• To identify kinetic triplet parameters using a fitting method based on the integral method and modified Arrhenius equation.
• To provide a simplified computational approach for TGA data analysis.

Main Methods:

• Application of the integral method for solid-state reaction modeling.
• Utilizing a fitting approach with the modified Arrhenius equation.
• Solving the inverse problem of chemical kinetics without pre-defined reaction mechanisms.

Main Results:

• The proposed method effectively identifies kinetic triplet parameters for solid-state reactions.
• Validation through test cases across low, medium, and high conversion rates.
• Successful application to real TGA data, showing good agreement with existing literature and experimental results.

Conclusions:

• The developed method offers a robust and simplified approach to kinetic analysis of TGA data.
• It eliminates the need to specify reaction mechanism parameters beforehand.
• The provided MS Excel-compatible code facilitates easy verification, reproduction, and adaptation for diverse kinetic studies.