/ Instructions /

1. Load the input data that were created with Import app or manually. It should be a single .txt file with rows of equal length, four rows for each experiment: (i) temperature [°C], (i+1) time [s], (i+2) conversion [0..1], (i+3) conversion rate [1/s], , separator - space. An example can be found here . Note, that more than four experiments is needed to perform the kinetic analysis (see the ICTAC Kinetic committee recommendations ).

2. Press the "Calculate" button and see the results of the linear regression for the flexible reaction model with two exponents (also known as the reduced Sestak-Berggren, shown on the right) [1]. During the calculation the conversion degree range can be specified. The allowed range for the kinetic parameters can be set using the "Advanced" tab, once the "Define constraints" is checked.

3. See the results. The full information on the regression is available once the relevant checkbox is selected. Various ideal reaction types (e.g., from [2]) can be selected to visually compare it on the master plot with the optimized flexible reaction model.

Model fitting (linear regression) [1]
$$ \large { ln\left(\frac{d\alpha}{dt}\right) - ln[(1-\alpha)^n\alpha^m]= ln(c A) - \frac{E_a}{RT} } $$
References:

1. L.A. Pérez-Maqueda, J.M. Criado, P.E. Sánchez-Jiménez, Combined Kinetic Analysis of Solid-State Reactions: A Powerful Tool for the Simultaneous Determination of Kinetic Parameters and the Kinetic Model without Previous Assumptions on the Reaction Mechanism, J. Phys. Chem. A. 110 (2006) 12456–12462. doi:10.1021/jp064792g.
2. S.V. Vyazovkin, A.K. Burnham, J.M. Criado, L.A. Pérez-Maqueda, C. Popescu, N. Sbirrazzuoli, ICTAC Kinetics Committee recommendations for performing kinetic computations on thermal analysis data, Thermochimica Acta 520 (2011) 1-19, doi:10.1016/j.tca.2011.03.034. 


          

          

            

            

          

          
          

            Dr. Nikita V. Muravyev, Version 26.06.20
          

          

            

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