Reaction/crystallization kinetics studied via in situ XRD: experimental conditions versus methods of kinetic analysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F19%3A39915585" target="_blank" >RIV/00216275:25310/19:39915585 - isvavai.cz</a>
Result on the web
<a href="https://www.tandfonline.com/doi/abs/10.1080/14786435.2019.1648899?journalCode=tphm20" target="_blank" >https://www.tandfonline.com/doi/abs/10.1080/14786435.2019.1648899?journalCode=tphm20</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/14786435.2019.1648899" target="_blank" >10.1080/14786435.2019.1648899</a>
Alternative languages
Result language
angličtina
Original language name
Reaction/crystallization kinetics studied via in situ XRD: experimental conditions versus methods of kinetic analysis
Original language description
Theoretically simulated kinetic data were used to evaluate the errors associated with the common issue of evaluating the in situ non-isothermal X-ray diffraction data, where the complex multi-step temperature program (alternating the non-isothermal heating steps with isothermal steps during which the diffraction patterns are collected) is for the purposes of evaluation replaced by a simple non-isothermal heating performed at the reduced/effective heating rate. The kinetic analysis has shown that, in general, best results are provided by the non-linear optimisation methods simultaneously evaluating the data-curves obtained for all the different heating rates. For the nucleation growth (KMJMA) kinetics the distortive influence of the temperature program parameters increases as follows: heating rate during non-isothermal segments < duration of the isothermal segment < temperature interval between the isothermal segments. The non-optimisation methods of kinetic analysis (integral isoconversional methods for evaluation of activation energy E and master plots for determining the appropriate kinetic model) were found to perform inaccurately, with large degree of randomness based on the selection of starting temperature, and are not recommended for evaluation of the in situ XRD data - the only exception seem to be the differential isoconversional methods that provided accurate E values. Generalisation of the present conclusions for all KMJMA processes is suggested and discussed.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20501 - Materials engineering
Result continuities
Project
<a href="/en/project/GA17-11753S" target="_blank" >GA17-11753S: Kinetic analysis of complex physico-chemical processes</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Philosophical Magazine
ISSN
1478-6435
e-ISSN
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Volume of the periodical
99
Issue of the periodical within the volume
23
Country of publishing house
GB - UNITED KINGDOM
Number of pages
16
Pages from-to
2941-2956
UT code for WoS article
000481136000001
EID of the result in the Scopus database
2-s2.0-85070263964