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Journal Article
Thermodynamic model of 45S5 bioglass
2024
Overview
Shakhmatkin and Vedishcheva thermodynamic model (SV TDM) of 45S5 bioglass was evaluated at
T
= 800 K. From 42 considered system components, only 7 components (Na
2
O⋅SiO
2
, Na
2
O⋅3CaO⋅6SiO
2
, 3CaO⋅2SiO
2
, CaO⋅SiO
2
, 9Na
2
O⋅6SiO
2
⋅2P
2
O
5
, 2CaO⋅SiO
2
, and Na
2
O⋅2CaO⋅P
2
O
5
) 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. PO
4
3−
). 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
).
Publisher
Springer International Publishing,Springer,Springer Nature B.V
