Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 2

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F18%3A39912570" target="_blank" >RIV/00216275:25310/18:39912570 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s10973-017-6673-x" target="_blank" >http://dx.doi.org/10.1007/s10973-017-6673-x</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10973-017-6673-x" target="_blank" >10.1007/s10973-017-6673-x</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 2

Popis výsledku v původním jazyce

Based on theoretically simulated sets of kinetic data, the performance of the linear, cubic spline, and Bezier interpolations was tested for single-process kinetic peaks exhibiting different asymmetries. The quality of the approximation of the true thermokinetic background was compared to the (correct) tangential area-proportional interpolation. The Bezier interpolation exhibited the best performance (closest to the tangential area-proportional one); the linear and cubic spline interpolations resulted in a roughly similar level of data distortions. In general, the higher the absolute value of peak asymmetry, the larger the distortions associated with usage of the mathematic interpolations. The most influenced kinetic results were found to be the integrated area of the peak and the actual shape of the peak (being reflected in the kinetic model parameters determined via the model-based kinetic analysis of the data). On the other hand, the model-free kinetic results were found to be in most cases markedly robust with respect to the distortions of the kinetic data associated with the usage of inaccurate interpolations. In particular, the peak-maximum-based methods for evaluation of the apparent activation energy of the process performed extremely well in all cases.

Název v anglickém jazyce

Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 2

Popis výsledku anglicky

Based on theoretically simulated sets of kinetic data, the performance of the linear, cubic spline, and Bezier interpolations was tested for single-process kinetic peaks exhibiting different asymmetries. The quality of the approximation of the true thermokinetic background was compared to the (correct) tangential area-proportional interpolation. The Bezier interpolation exhibited the best performance (closest to the tangential area-proportional one); the linear and cubic spline interpolations resulted in a roughly similar level of data distortions. In general, the higher the absolute value of peak asymmetry, the larger the distortions associated with usage of the mathematic interpolations. The most influenced kinetic results were found to be the integrated area of the peak and the actual shape of the peak (being reflected in the kinetic model parameters determined via the model-based kinetic analysis of the data). On the other hand, the model-free kinetic results were found to be in most cases markedly robust with respect to the distortions of the kinetic data associated with the usage of inaccurate interpolations. In particular, the peak-maximum-based methods for evaluation of the apparent activation energy of the process performed extremely well in all cases.

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

2018

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

131

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

1889-1897

Kód UT WoS článku

000424302000097

EID výsledku v databázi Scopus

2-s2.0-85029006282