Modelling of nonisothermal kinetics in thermogravimetry

2000

Closed access Metadata (CSL-JSON)
DOI 10.1039/b004355i
Data confidence 70 medium
How this score is calculated

It is built from checkable properties of the record itself: whether the article has a DOI, how many independent sources confirmed its data, whether the required fields are filled in, and how recent the latest confirmation is. Disagreement between sources and a missing identifier lower it. A value of 80 or above means the record was published without further checking; 60 to 79 means it is published at reduced confidence, with a manual check advisable. A record verified by an editor by hand is never pushed below 90 by a recalculation. This scores our data about the article, not the article itself.

Abstract

A new, fast and simple numerical method is proposed for modelling data of thermogravimetric analysis under arbitrary temperature–time relationships. The algorithm searches for activation energies and rate constants by means of minimisation of the average square of deviation, Δ, between computed and experimental curves on a scale of the logarithm of reduced time that, in turn, is expressed as the integral of the Arrhenius exponential. The algorithm tests phenomenological relations by considering the process mechanism. Eighteen known models corresponding to different physical and chemical processes are included as the basic set in the algorithm. Sequential analysis of the 18 variants and arrangement of values of Δ1/2 in ascending order allow a selection of the best of models. The less Δ1/2 is, the nearer is the calculated activation energy to the correct value. Then one can detect that satisfactory models provide a good approximation of the original kinetic curves.