Approximation-based integral versus differential isoconversional approaches to the evaluation of kinetic parameters from thermogravimetry

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• 作者：R. Neglur ; D. Grooff ; E. Hosten ; M. Aucamp…
• 关键词：Roxithromycin ; Solid ; state kinetics ; Advanced isoconversional ; Differential Friedman
• 刊名：Journal of Thermal Analysis and Calorimetry
• 出版年：2016
• 出版时间：March 2016
• 年：2016
• 卷：123
• 期：3
• 页码：2599-2610
• 全文大小：1,734 KB
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• 作者单位：R. Neglur (1)
  D. Grooff (1)
  E. Hosten (1)
  M. Aucamp (2)
  W. Liebenberg (2)
  
  1. Department of Chemistry, Nelson Mandela Metropolitan University, Port Elizabeth, 6031, South Africa
  2. Center of Excellence for Pharmaceutical Sciences, Faculty of Health Sciences, North-West University, Potchefstroom Campus, Potchefstroom, 2520, South Africa
  
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Sciences
  Polymer Sciences
  Physical Chemistry
  Inorganic Chemistry
  Measurement Science and Instrumentation
  
• 出版者：Akad茅miai Kiad贸, co-published with Springer Science+Business Media B.V., Formerly Kluwer Academic
• ISSN：1572-8943

文摘

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.