Model-free isothermal and nonisothermal predictions using advanced isoconversional methods

Four complex mechanisms of two parallel independent reactions were simulated under various isothermal and nonisothermal conditions. Equations to perform isothermal predictions and nonisothermal simulations at a different temperature program are presented, based on the isoconversional methods of Vyazovkin and Friedman. Isoconversional kinetic parameters were used to simulate the reaction progress under different isothermal and nonisothermal conditions. It was shown that accurate simulations can be performed in a model-free way, i.e. without knowledge of the reaction mechanism. A higher accuracy was obtained for mechanism involving more separated individual steps. The methods proposed are applicable to both DSC and TG data.

Automated summary

Four complex mechanisms of two parallel independent reactions were simulated under various isothermal and nonisothermal conditions based on the isoconversional methods of Vyazovkin and Friedman. The study showed that accurate simulations can be performed in a model-free way, with higher accuracy obtained for mechanisms involving more separated individual steps. The proposed methods are applicable to both DSC and TG data.