Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 1

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F16%3A39901214" target="_blank" >RIV/00216275:25310/16:39901214 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1007/s10973-016-5297-x" target="_blank" >http://dx.doi.org/10.1007/s10973-016-5297-x</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10973-016-5297-x" target="_blank" >10.1007/s10973-016-5297-x</a>

Result language

angličtina

Original language name

Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data Part 1

Original language description

Using theoretically simulated kinetic datasets, the performance of various types of commonly accessible baselines was tested when the heat capacity of reactants and products is not the same. The quality of the approximation of the true thermokinetic background was compared to the (correct) tangential area-proportional interpolation. Undoubtedly, the most accurate results were provided by the Bezier interpolation, followed by the cubic spline function. In the case of the cubic spline, however, great care needs to be paid to its setting to perform acceptably. The worst results were provided by the simple linear interpolation. Regarding the accuracy of the consequent kinetic analysis, even in the case of large heat capacity changes underlying the kinetic peak, the evaluation of apparent activation energy and pre-exponential factor (model-free analysis) showed only negligible errors for all three tested types of baselines. However, larger heat capacity changes resulted in considerable errors (even similar to 30 %) in the integral area under the peak. Model-based kinetic analysis provided varied results for different methodologies; while the multivariate curve-fitting exhibited acceptable (small) deviations, the peak-shaped analysis provided considerably worse results, particularly the application of the simple linear interpolation led to large errors.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

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

Name of the periodical

Journal of Thermal Analysis and Calorimetry

ISSN

1388-6150

e-ISSN

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Volume of the periodical

124

Issue of the periodical within the volume

3

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

9

Pages from-to

1717-1725

UT code for WoS article

000376087800056

EID of the result in the Scopus database

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