Thermodynamic model of ZnO-Nb2O5-P2O5 glasses - parameterization and validation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F21%3A43922671" target="_blank" >RIV/60461373:22310/21:43922671 - isvavai.cz</a>
Alternative codes found
RIV/00216275:25310/21:39918692
Result on the web
<a href="https://ceramics.onlinelibrary.wiley.com/doi/10.1111/ijag.15903" target="_blank" >https://ceramics.onlinelibrary.wiley.com/doi/10.1111/ijag.15903</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1111/ijag.15903" target="_blank" >10.1111/ijag.15903</a>

Result language
angličtina
Original language name
Thermodynamic model of ZnO-Nb2O5-P2O5 glasses - parameterization and validation
Original language description
On the basis of experimental structural data ten system components were considered in the ZnO-Nb2O5-P2O5 thermodynamic model of Shakhmatkin and Vedishcheva - ZnO, Nb2O5, P2O5, ZnP4O11, Zn(PO3)(2), Zn2P2O7, Zn-3(PO4)(2), NbO(PO3)(3), (NbO)(4)(P2O(7))(3), and NbOPO4. The molar Gibbs energies of ZnO, Nb2O5, P2O5, and Zn-3(PO4)(2) were taken from the FACT database. The unknown Gibbs energies of the other components were estimated by minimizing the sum of squares of deviations between the calculated and measured equilibrium molar amounts of system components for the series xNb(2)O(5)center dot 50ZnO center dot(50-x)P2O5. The model was validated by the Multivariate Curve Resolution (MCR) and Malfait's analysis of Raman spectra of xNb(2)O(5)center dot(50-x)ZnO center dot 50P(2)O(5) glasses. The MCR analysis performed for three components resulted in loadings that were in acceptable coincidence with partial Raman spectra obtained by Malfait's decomposition. Both the MCR and the Malfait's decomposition reproduced the experimental Raman spectra very well - on the level of experimental error.
Czech name
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Czech description
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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
20504 - Ceramics

Project
<a href="/en/project/LTT20001" target="_blank" >LTT20001: Surfaces of silicate glass; characterization, structure, and modification. Cooperation with Centre of excellence FunGlass.</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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