Modification of the integral isoconversional method to account for variation in the activation energy

TLDR

Integral isoconversional methods can produce systematic errors in activation energy when it varies strongly with conversion. This error is eliminated by using an integration technique that properly accounts for the variation in activation energy, implemented as a modification of the earlier advanced isoconversional method. Applications of the modified method are illustrated by simulations and by processing data on the thermal decomposition of calcium oxalate monohydrate and ammonium nitrate. © 2000 John Wiley & Sons, Inc.

Abstract

Integral isoconversional methods may give rise to noticeable systematic error in the activation energy when the latter strongly varies with the extent of conversion. This error is eliminated by using an integration technique that properly accounts for the variation in the activation energy. The technique is implemented as a modification of the earlier proposed advanced isoconversional method [Vyazovkin, S. J Comput Chem 1997, 18, 393]. The applications of the modified method are illustrated by simulations as well as by processing of data on the thermal decomposition of calcium oxalate monohydrate and ammonium nitrate. © 2000 John Wiley & Sons, Inc. J Comput Chem 22: 178–183, 2001