Back to Search Start Over

Evaluation of smooth reaction rate of noisy experimental data using Legendre series expansion.

Authors :
Aghili, Alireza
Shabani, Amir Hossein
Source :
Journal of Mathematical Chemistry. Aug2024, Vol. 62 Issue 7, p1521-1536. 16p.
Publication Year :
2024

Abstract

The accurate calculation of reaction rates from experimental data is crucial for understanding and characterizing chemical processes. However, the presence of noise in experimental data can introduce errors in rate calculations. In this study, we introduced a novel approach that utilizes the Legendre series expansion method to directly derive smooth reaction rates from noisy experimental data, eliminating the need for numerical differentiation methods. This approach proves to be highly effective in handling noisy thermogravimetric analysis (TGA) data obtained from the thermal decomposition of specific polymers. We demonstrated the robustness and reliability of this method and provided Gnu Octave codes as a free alternative to MATLAB, making the implementation more accessible. Furthermore, the smooth reaction rates obtained were used to evaluate the activation energy using the Friedman isoconversional method. The results showed excellent agreement with those obtained using the Vyazovkin integral method. Additionally, the proposed method can be applied to obtain smooth derivative thermogravimetric (DTG) curves using noisy TGA data set. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
02599791
Volume :
62
Issue :
7
Database :
Academic Search Index
Journal :
Journal of Mathematical Chemistry
Publication Type :
Academic Journal
Accession number :
179534898
Full Text :
https://doi.org/10.1007/s10910-024-01618-4