Publication detail

Simulation and non-linear optimization of Sestak-Berggren kinetics

Authors: Luciano Giorgio | Soetaert Karline | Svoboda Roman

Year: 2020

Type of publication: článek v odborném periodiku

Name of source: Journal of Non-Crystalline Solids

Publisher name: Elsevier Science BV

Place: Amsterdam

Page from-to: "120391-1"-"120391-8"

Titles:

Language	Name	Abstract	Keywords
cze	Simulace a nelineární optimalizace Sestak-Berggren kinetického modelu	Práce se zabývá vlivem podmínek měření a vyhodnocení na přesnost parametrů stanovených pro kinetický model Sestak-Berggren.	numerická simulace; Sestak-Berggren model LSODA; asymetrie
eng	Simulation and non-linear optimization of Sestak-Berggren kinetics	The effect of procedural conditions (density of points, initial value of conversion rate) on the accuracy of Sestak-Berggren (AC) simulations was studied. Newly developed software programmed in R-language and using the LSODA initial-value-problem-solver was used to simulate sets of AC kinetic data-sets with increasing precision. Evaluation of the kinetic data-sets was done using the benchmark commercial software, Thermokinetics (Netzsch), to consolidate uniformity of the data treatment. Whereas the points density used during the simulation had no effect on the resulting shape of the kinetic peak (and the corresponding kinetic description), the initial value of conversion rate was found to crucially influence the shape/parameters of the resulting kinetic peak. Importance of utilizing low enough initial values of conversion rate in the AC simulations dramatically increases for positively asymmetric kinetic peaks. Based on the present results, transferability of the kinetic parameters evaluated for the generic/experimental data by different softwares was discussed.	Numerical simulation; Sestak-Berggren kinetics; LSODA; asymmetry

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