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- Title
Approximation-based integral versus differential isoconversional approaches to the evaluation of kinetic parameters from thermogravimetry.
- Authors
Neglur, R.; Grooff, D.; Hosten, E.; Aucamp, M.; Liebenberg, W.
- Abstract
The relative accuracies of approximation-based integral versus differential isoconversional approaches for 'actual' E determination were investigated on experimental dehydration data of roxithromycin monohydrate from thermogravimetric (TG) analysis. The dehydration kinetic parameters and the relationship to the structural characteristics of the monohydrate and anhydrate forms from differential scanning calorimetry (DSC) and single-crystal X-ray diffractometry (SC-XRD) are also reported. Integral methods versus the differential Friedman isoconversional method evaluated E correspondences in both iso- and non-isothermal TG methods. The reliability in E from Friedman approached that of estimates from current most accepted integral isoconversional methods and was even superior to methods (for non-isothermal studies) that employ an approximation to the temperature integral (modified Kissinger-Akahira-Sunose, Senum-Yang fourth degree). Structural characterization (DSC, SC-XRD) and kinetic analysis from generalized kinetic master plots concluded that coordinated water occupied interlinked voids in crystal structure which may have facilitated the multidimensional diffusional loss of water upon heating without disruption of the crystal structure.
- Subjects
THERMOGRAVIMETRY; APPROXIMATION theory; CHEMICAL kinetics; DEHYDRATION reactions; MOLECULAR structure; X-ray diffractometers
- Publication
Journal of Thermal Analysis & Calorimetry, 2016, Vol 123, Issue 3, p2599
- ISSN
1388-6150
- Publication type
Article
- DOI
10.1007/s10973-016-5244-x