Kinetic analysis of non-isothermal solid-state reactions: multi-stage modeling without assumptions in the reaction
Alexey L Pomerantsev1, Alla V Kutsenova2, Oxana Ye Rodionova2
1Semenov Institute of Chemical Physics RAS, Kosygin str. 4, 119991, Moscow, Russia. forecast@chph.ras.ru and Institute of Natural and Technical Systems RAS, Kurortny pr. 99/18, 354024, Sochi, Russia.
Abstract:
A novel non-linear regression method for modeling non-isothermal thermogravimetric data is proposed. Experiments for several heating rates are analyzed simultaneously. The method is applicable to complex multi-stage processes when the number of stages is unknown. Prior knowledge of the type of kinetics is not required. The main idea is a consequent estimation of parameters when the overall model is successively changed from one level of modeling to another. At the first level, the Avrami-Erofeev functions are used. At the second level, the Sestak-Berggren functions are employed with the goal to broaden the overall model. The method is tested using both simulated and real-world data. A comparison of the proposed method with a recently published 'model-free' deconvolution method is presented.
More Related Videos
Related Concept Videos
Thermal Sigmatropic Reactions: Overview
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred...
Multi-Step Reactions
Variables and Equations of State
Path Between Thermodynamics States
Reaction Mechanisms: Rate-limiting Step Approximation
The Kinetic Model of Gases


