Thermodynamic model of 45S5 bioglass

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F24%3A43931222" target="_blank" >RIV/60461373:22310/24:43931222 - isvavai.cz</a>
Result on the web
<a href="https://link.springer.com/article/10.1007/s10973-023-12787-w" target="_blank" >https://link.springer.com/article/10.1007/s10973-023-12787-w</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10973-023-12787-w" target="_blank" >10.1007/s10973-023-12787-w</a>

Result language
angličtina
Original language name
Thermodynamic model of 45S5 bioglass
Original language description
Shakhmatkin and Vedishcheva thermodynamic model (SV TDM) of 45S5 bioglass was evaluated at T = 800 K. From 42 considered system components, only 7 components (Na2O & sdot;SiO2, Na2O & sdot;3CaO & sdot;6SiO(2), 3CaO & sdot;2SiO(2), CaO & sdot;SiO2, 9Na(2)O & sdot;6SiO(2)& sdot;2P(2)O(5), 2CaO & sdot;SiO2, and Na2O & sdot;2CaO & sdot;P2O5) were present in significant equilibrium molar amount. The calculated Q-distribution of silicate units (22.6% of Q(3), 63.1% of Q(2), 10.1% of Q(1), and 4.2% of Q(0)) was compared with the Q-distribution for so-called crystalline reference state (6.3% of Q(3), 93.7% of Q(2)). Further, both Q-distributions were compared with the MAS NMR experimental data published by different authors (e.g. 33.3% of Q(3), 54.5% of Q(2), and 12.2% of Q(1), or 17.8% of Q(3), 76.7% of Q(2), and 5.5% of Q(1)). It was concluded that there is no principal difference between SV TDM and MAS NMR distributions of silicate units. Further the Q-distribution of phosphate units was analysed. The CRS resulted in 100% presence of Q(0) units (i.e. PO43-). The SV TDM resulted in significantly broader distribution, i.e. 4.5% of Q(2), 10.4% of Q(1), and 85.1% of Q(0). This distribution is comparable with those obtained by MAS NMR (e.g. 26.7% of Q(1) and 73.3% of Q(0)).
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
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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