Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 3

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F19%3A39914308" target="_blank" >RIV/00216275:25310/19:39914308 - isvavai.cz</a>

Výsledek na webu

<a href="https://link.springer.com/article/10.1007%2Fs10973-018-7738-1" target="_blank" >https://link.springer.com/article/10.1007%2Fs10973-018-7738-1</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10973-018-7738-1" target="_blank" >10.1007/s10973-018-7738-1</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 3

Popis výsledku v původním jazyce

Theoretically, simulated kinetic data were used to evaluate the performance of the linear, cubic spline and Bezier mathematic interpolations (in comparison with the physically meaningful tangential area-proportional interpolation) in case of the complex kinetics involving two independent processes with different degrees of overlapping. The Bezier interpolation exhibited best performance; the linear interpolation performed significantly worse than the two other ones. In general, the data distortions caused by application of the mathematic interpolations do not significantly influence the model-free kinetic parameters-apparent activation energy and pre-exponential factor; errors below 2% occurred even for the most extremely distorted data. On the other hand, the integrated peak area and the model-based parameters such as kinetic exponents and the complexity ratio can be significantly influenced by the interpolations-caused data distortions, with the associated errors being in the order of tenths of percent. Nevertheless, the distortions associated with the choice of the thermokinetic interpolation were found to not affect the thermal stability predictions for the complex kinetic processes; only the precise predictions based on the mid-range degrees of conversion (e.g., controlled preparation of glass-ceramics) can be significantly affected by the incorrect interpolation of the thermokinetic background.

Název v anglickém jazyce

Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 3

Popis výsledku anglicky

Theoretically, simulated kinetic data were used to evaluate the performance of the linear, cubic spline and Bezier mathematic interpolations (in comparison with the physically meaningful tangential area-proportional interpolation) in case of the complex kinetics involving two independent processes with different degrees of overlapping. The Bezier interpolation exhibited best performance; the linear interpolation performed significantly worse than the two other ones. In general, the data distortions caused by application of the mathematic interpolations do not significantly influence the model-free kinetic parameters-apparent activation energy and pre-exponential factor; errors below 2% occurred even for the most extremely distorted data. On the other hand, the integrated peak area and the model-based parameters such as kinetic exponents and the complexity ratio can be significantly influenced by the interpolations-caused data distortions, with the associated errors being in the order of tenths of percent. Nevertheless, the distortions associated with the choice of the thermokinetic interpolation were found to not affect the thermal stability predictions for the complex kinetic processes; only the precise predictions based on the mid-range degrees of conversion (e.g., controlled preparation of glass-ceramics) can be significantly affected by the incorrect interpolation of the thermokinetic background.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA17-11753S" target="_blank" >GA17-11753S: Kinetická analýza komplexních fyzikálně chemických procesů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Thermal Analysis and Calorimetry

ISSN

1388-6150

e-ISSN

—

Svazek periodika

136

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

1307-1314

Kód UT WoS článku

000464699900028

EID výsledku v databázi Scopus

2-s2.0-85053502188