Thermal decomposition of mixed calcium oxalate hydrates - kinetic deconvolution of complex heterogeneous processes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F20%3A39916414" target="_blank" >RIV/00216275:25310/20:39916414 - isvavai.cz</a>
Result on the web
<a href="https://pubs.rsc.org/en/content/articlelanding/2020/CP/C9CP06867H#!divAbstract" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2020/CP/C9CP06867H#!divAbstract</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c9cp06867h" target="_blank" >10.1039/c9cp06867h</a>
Alternative languages
Result language
angličtina
Original language name
Thermal decomposition of mixed calcium oxalate hydrates - kinetic deconvolution of complex heterogeneous processes
Original language description
Differential scanning calorimetry (DSC), thermogravimetry (TG) and in situ XRD were used to study dehydration and consequent decomposition reactions of mixed calcium oxalate hydrates. As the complex dehydration kinetics exhibited certain trends with respect to the applied heating rate, the modified multivariate kinetic analysis approach (based on averaged curve-by-curve optimizations) was employed to obtain a full kinetic description of the data. The Sestak-Berggren equation was used to model the two consequent dehydration reactions. Good agreement was found between the kinetic parameters calculated from the DSC and TG data - approximate values of activation energies were 68 and 81 kJ mol(-1) for the trihydrate -> monohydrate and monohydrate -> anhydride transformations, respectively. A procedural methodology was developed to predict both dehydration kinetics and hydrate content ratios. For the calcium oxalate decomposition the TG technique provided very precise single-step prediction with an activation energy of 180 kJ mol(-1). DSC on the other hand provided complex information on joint decomposition and carbon monoxide oxidation reactions - the proposed reaction mechanism includes completion of two reaction paths composed of consequent chemical reactions. A mechanistic view of the complex reaction path is discussed in terms of the diffusion barrier limiting the oxidation step.
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
10403 - Physical chemistry
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
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
22
Issue of the periodical within the volume
16
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
8889-8901
UT code for WoS article
000537175100062
EID of the result in the Scopus database
2-s2.0-85084167373