Abstract
The paper presents results of structural calculations carried out on the alkali borate glasses using physicochemical modeling based on Gibbs energy minimisation. Standard heat capacity, entropy and enthalpy of formation values for lithium, sodium and potassium borates are estimated by regression analysis for use as the input data for the models taking into account the error of the initial data. The correction of the physicochemical model was made using results of Raman spectroscopy. The dependence of the maximum of the “borate anomaly” on the number of non-bridging oxygen atoms was shown. It was found that the most obvious changes in the dependence of properties occur in the regions of N1 and N2 compositions, which are characterized by the appearance of asymmetric triangles BØ2O− and BØO22− in glasses, correspondingly.
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