Thermodynamic model and Raman spectra of ZnO-P2O5 glasses

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F15%3A43899944" target="_blank" >RIV/60461373:22310/15:43899944 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s10973-015-4515-2" target="_blank" >http://dx.doi.org/10.1007/s10973-015-4515-2</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10973-015-4515-2" target="_blank" >10.1007/s10973-015-4515-2</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamic model and Raman spectra of ZnO-P2O5 glasses

Popis výsledku v původním jazyce

Raman spectra of xZnO (100-x)P2O5 (x = 35, 40, 45, 50, 55) glasses were described by the thermodynamic model of Shakhmatkin and Vedishcheva using the method of Malfait. The glasses were considered as the ideal solution of unreacted oxides and four compounds (ZnP2O6, Zn2P2O7, Zn3P2O8, and ZnP2O11). Due to missing thermodynamic data, thermodynamic model was based on the estimates of reaction Gibbs energies of formation of considered compounds obtained by fitting the P-31 MAS NMR Q-distribution in ZnO-MoO3-P2O5 glasses. Simultaneously, the set of Raman spectra was analyzed by multivariate curve resolution method. The very good coincidence between the results of spectral decomposition based on the thermodynamic model on one side and on the results of MCR method on the other can be considered as plausible validation of the thermodynamic data used, i.e., as a general guideline for the situations where the thermodynamic data needed for the construction of Shakhmatkin and Vedishcheva thermodyn

Název v anglickém jazyce

Thermodynamic model and Raman spectra of ZnO-P2O5 glasses

Popis výsledku anglicky

Raman spectra of xZnO (100-x)P2O5 (x = 35, 40, 45, 50, 55) glasses were described by the thermodynamic model of Shakhmatkin and Vedishcheva using the method of Malfait. The glasses were considered as the ideal solution of unreacted oxides and four compounds (ZnP2O6, Zn2P2O7, Zn3P2O8, and ZnP2O11). Due to missing thermodynamic data, thermodynamic model was based on the estimates of reaction Gibbs energies of formation of considered compounds obtained by fitting the P-31 MAS NMR Q-distribution in ZnO-MoO3-P2O5 glasses. Simultaneously, the set of Raman spectra was analyzed by multivariate curve resolution method. The very good coincidence between the results of spectral decomposition based on the thermodynamic model on one side and on the results of MCR method on the other can be considered as plausible validation of the thermodynamic data used, i.e., as a general guideline for the situations where the thermodynamic data needed for the construction of Shakhmatkin and Vedishcheva thermodyn

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

JH - Keramika, žáruvzdorné materiály a skla

OECD FORD obor

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Projekt

<a href="/cs/project/GAP108%2F10%2F1631" target="_blank" >GAP108/10/1631: Modelování vibračních spekter nekrystalických materiálů pomocí molekulových simulací</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Thermal Analysis and Calorimetry

ISSN

1388-6150

e-ISSN

—

Svazek periodika

121

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

85-91

Kód UT WoS článku

000356455000010

EID výsledku v databázi Scopus

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