Thermodynamic model and Raman spectra of BaO-B2O3 glasses

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F19%3A43918364" target="_blank" >RIV/60461373:22310/19:43918364 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0924203119301560?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0924203119301560?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.vibspec.2019.102970" target="_blank" >10.1016/j.vibspec.2019.102970</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamic model and Raman spectra of BaO-B2O3 glasses

Popis výsledku v původním jazyce

The structure of xBaO•(1-x)B2O3 (x=0.20, 0.25, 0.30, 0.35, and 0.40) glasses were studied by Raman spectroscopy and the thermodynamic model of Shakhmatkin and Vedishcheva (SVTDM). Nine system components were considered in the SVTDM: BaO, B2O3, 2BaO•5B2O3, 2BaO•B2O3, 3BaO•B2O3, 4BaO•B2O3, BaO•B2O3, BaO•2B2O3, and BaO•4B2O3. In all components of the SVTDM with non-negligible equilibrium abundance, only three short range order structural units were identified on the basis of structural data: trigonal boron with three bridging oxygen atoms (T3), trigonal boron with two bridging oxygen atoms (T2), and tetragonal boron with four bridging oxygen atoms (Q4). The Multivariate Curve Analysis (MCR) of the baseline subtracted and thermally corrected experimental Raman spectra was performed for three components. MCR resulted in the Raman spectra (so called loadings) and relative abundances (so called scores) of each considered structural unit. On the basis of strong positive correlations between the equilibrium molar amounts of structural units and scores, the particular structural units were attributed to individual loadings. This result was confirmed by the structural analysis of the individual loadings.

Název v anglickém jazyce

Thermodynamic model and Raman spectra of BaO-B2O3 glasses

Popis výsledku anglicky

The structure of xBaO•(1-x)B2O3 (x=0.20, 0.25, 0.30, 0.35, and 0.40) glasses were studied by Raman spectroscopy and the thermodynamic model of Shakhmatkin and Vedishcheva (SVTDM). Nine system components were considered in the SVTDM: BaO, B2O3, 2BaO•5B2O3, 2BaO•B2O3, 3BaO•B2O3, 4BaO•B2O3, BaO•B2O3, BaO•2B2O3, and BaO•4B2O3. In all components of the SVTDM with non-negligible equilibrium abundance, only three short range order structural units were identified on the basis of structural data: trigonal boron with three bridging oxygen atoms (T3), trigonal boron with two bridging oxygen atoms (T2), and tetragonal boron with four bridging oxygen atoms (Q4). The Multivariate Curve Analysis (MCR) of the baseline subtracted and thermally corrected experimental Raman spectra was performed for three components. MCR resulted in the Raman spectra (so called loadings) and relative abundances (so called scores) of each considered structural unit. On the basis of strong positive correlations between the equilibrium molar amounts of structural units and scores, the particular structural units were attributed to individual loadings. This result was confirmed by the structural analysis of the individual loadings.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20504 - Ceramics

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Vibrational Spectroscopy

ISSN

0924-2031

e-ISSN

—

Svazek periodika

105

Číslo periodika v rámci svazku

listopad

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

5

Strana od-do

102970

Kód UT WoS článku

000515616200004

EID výsledku v databázi Scopus

—