Thermodynamic model and structure of CaO.P2O5 glasses

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F13%3A43896848" target="_blank" >RIV/60461373:22310/13:43896848 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s10973-013-2988-4" target="_blank" >http://dx.doi.org/10.1007/s10973-013-2988-4</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10973-013-2988-4" target="_blank" >10.1007/s10973-013-2988-4</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamic model and structure of CaO.P2O5 glasses

Popis výsledku v původním jazyce

The distribution of Q-units of CaO-P2O5 glasses was described by the thermodynamic model of Shakhmatkin and Vedishcheva. The glass was considered as the ideal solution of CaO, P2O5, CaP2O6, Ca2P2O7, and Ca3P2O8. In the first step, molar Gibbs energies ofconsidered species were taken from the FACT thermodynamic database. The obtained result was compared with P-31 solid-state NMR study of Roiland. It was shown that the calculated values were in fairly good agreement with the experimental values. After that, the nonlinear regression treatment was used for optimization of molar Gibbs energies by minimizing the sum of squares of deviations between experimental and calculated Q-distribution. In such a manner, the non-ideality of the system was reflected. Inthe studied case, no significant improvement of obtained results was achieved by this procedure-thus, the ideal solution assumption included in the thermodynamic model of Shakhmatkin and Vedishcheva holds very well for the studied binary

Název v anglickém jazyce

Thermodynamic model and structure of CaO.P2O5 glasses

Popis výsledku anglicky

The distribution of Q-units of CaO-P2O5 glasses was described by the thermodynamic model of Shakhmatkin and Vedishcheva. The glass was considered as the ideal solution of CaO, P2O5, CaP2O6, Ca2P2O7, and Ca3P2O8. In the first step, molar Gibbs energies ofconsidered species were taken from the FACT thermodynamic database. The obtained result was compared with P-31 solid-state NMR study of Roiland. It was shown that the calculated values were in fairly good agreement with the experimental values. After that, the nonlinear regression treatment was used for optimization of molar Gibbs energies by minimizing the sum of squares of deviations between experimental and calculated Q-distribution. In such a manner, the non-ideality of the system was reflected. Inthe studied case, no significant improvement of obtained results was achieved by this procedure-thus, the ideal solution assumption included in the thermodynamic model of Shakhmatkin and Vedishcheva holds very well for the studied binary

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

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2013

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

114

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

5

Strana od-do

785-789

Kód UT WoS článku

000325704200037

EID výsledku v databázi Scopus

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