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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 -&gt; monohydrate and monohydrate -&gt; 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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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

  • 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