Tangential area-proportional baseline interpolation for complex-process DSC data - Yes or no?

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F17%3A39911960" target="_blank" >RIV/00216275:25310/17:39911960 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.tca.2017.10.011" target="_blank" >http://dx.doi.org/10.1016/j.tca.2017.10.011</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.tca.2017.10.011" target="_blank" >10.1016/j.tca.2017.10.011</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Tangential area-proportional baseline interpolation for complex-process DSC data - Yes or no?

Popis výsledku v původním jazyce

Theoretical simulations were used to evaluate distortions arising from the usage of tangential area-proportional interpolation in certain situations corresponding the specific thermokinetic background courses. In particular, the effects of different types of complex kinetic peaks (consisting of overlapping sub-processes) and different heat capacity changes associated with the given sub-processes were investigated. Performance of the tangential area-proportional baseline was evaluated in terms of the magnitude of errors arising from the consequent kinetic analysis done on the basis of isoconversional methods and multivariate kinetic analysis. Apparent activation energy and pre-exponential factor were found to be only very weakly influenced by usage of tangential area proportional interpolation in most of the commonly encountered inappropriate situations. On the other hand, the model-based parameters (kinetic model exponents or even preference of certain model) can be significantly affected by usage of tangential area-proportional interpolation without the exact knowledge of the true course of thermokinetic background. These errors increase with decreasing relative magnitude of the given sub-peak. Largest errors (up to 20%) were then associated with determination of the integral area of the kinetic peak (quantity related to the specific enthalpy of the process).

Název v anglickém jazyce

Tangential area-proportional baseline interpolation for complex-process DSC data - Yes or no?

Popis výsledku anglicky

Theoretical simulations were used to evaluate distortions arising from the usage of tangential area-proportional interpolation in certain situations corresponding the specific thermokinetic background courses. In particular, the effects of different types of complex kinetic peaks (consisting of overlapping sub-processes) and different heat capacity changes associated with the given sub-processes were investigated. Performance of the tangential area-proportional baseline was evaluated in terms of the magnitude of errors arising from the consequent kinetic analysis done on the basis of isoconversional methods and multivariate kinetic analysis. Apparent activation energy and pre-exponential factor were found to be only very weakly influenced by usage of tangential area proportional interpolation in most of the commonly encountered inappropriate situations. On the other hand, the model-based parameters (kinetic model exponents or even preference of certain model) can be significantly affected by usage of tangential area-proportional interpolation without the exact knowledge of the true course of thermokinetic background. These errors increase with decreasing relative magnitude of the given sub-peak. Largest errors (up to 20%) were then associated with determination of the integral area of the kinetic peak (quantity related to the specific enthalpy of the process).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10406 - Analytical 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

2017

Kód důvěrnosti údajů

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

Název periodika

Thermochimica Acta

ISSN

0040-6031

e-ISSN

—

Svazek periodika

658

Číslo periodika v rámci svazku

December

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

55-62

Kód UT WoS článku

000417665700008

EID výsledku v databázi Scopus

2-s2.0-85032497556