ISSN 0862-5468 (Print), ISSN 1804-5847 (online) 

Ceramics-Silikáty 64, (1) 63 - 67 (2020)

Liška Marek 1,2, Macháček Jan 3, Chromčíková Mária 1, 2, Svoboda Roman 4
1 VILA - Joined Glass Centre of the IIC SAS, TnUAD, FChPT STU, Študentská 2, SK-911 50 Trenčín, Slovakia
2 VILA, FunGlass, A. Dubcek University of Trenčín, Študentská 2, SK-911 50 Trenčín, Slovakia
3 University of Chemistry and Technology, Prague, Faculty of Chemical Technology, Technická 5, Prague, CZ - 166 28, Czech Republic
4 University of Pardubice, Faculty of Chemical Technology, Department of Physical Chemistry, Studentská 573, Pardubice, CZ-532 10, Czech Republic

Keywords: Thermodynamic model, CaO-SiO2 glass, Q-distribution

The CaO-SiO₂ glass forming system is a typical example of a situation when the Shakhmatkin and Vedishcheva thermodynamic model cannot explain the experimentally determined Q-units distribution. As the system components are determined as stable crystalline phases found in the equilibrium phase diagram, the reason of the model failure is the missing system component representing the Q³ structural unit. We suggested a solution to the problem by adding an artificial CaO∙2SiO₂ component and we proposed a method of estimating the Gibbs energy of this component. The method is based on the linear relationship found between the reaction Gibbs energy of the formation of the system components representing the different Qn units (n = 3, 2, 1, 0) divided by the number of non-bridging oxygen atoms in this particular component (i.e., 4-n) on one side and the n value on the other side. The method was qualified by the good coincidence of the model results with the MAS NMR experimentally determined Q-distribution. Moreover, the estimated value of Gibbs energy practically coincides with the optimised value obtained by minimising the sum of the squares of the deviations between the experimental and calculated Q-distribution with respect to the molar Gibbs energy of CaO∙2SiO₂.

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doi: 10.13168/cs.2019.0049
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