Thermodynamic model of ZnO-Nb2O5-P2O5 glasses - parameterization and validation
Identifikátory výsledku
Kód výsledku v 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>
Nalezeny alternativní kódy
RIV/00216275:25310/21:39918692
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Thermodynamic model of ZnO-Nb2O5-P2O5 glasses - parameterization and validation
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
Thermodynamic model of ZnO-Nb2O5-P2O5 glasses - parameterization and validation
Popis výsledku anglicky
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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
20504 - Ceramics
Návaznosti výsledku
Projekt
<a href="/cs/project/LTT20001" target="_blank" >LTT20001: Povrchy silikátových skel; charakterizace, struktura a modifikace. Spolupráce s Centrem excelence FunGlass.</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2021
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
International Journal of Applied Glass Science
ISSN
2041-1286
e-ISSN
—
Svazek periodika
12
Číslo periodika v rámci svazku
4
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
7
Strana od-do
581-587
Kód UT WoS článku
000626572100001
EID výsledku v databázi Scopus
—