Chemical approach to the glass structure and properties

Abstract

This paper continues the series of works by the present authors on the modeling of glass structure and properties. Calculations are performed using the concept of the chemical structure based on the rigorous thermodynamic model of associated solutions. The aim of the present contribution is to demonstrate the applicability of the concept to a wider range of systems than that considered before. For this reason, glasses in the systems with different chemical natures determined by the acidity and basicity of the constituent oxides are considered. The glass structure is calculated at the level of the short-range order in the systems BaO‒SiO and MO(MO)‒PO (M = Li, Na, and Zn) and the intermediate-range order in the systems RbO‒BO and CsO‒BO. The structure-property relationship is quantitatively established by the example of the molar volume of BaO‒SiO glasses. All calculations are performed without the use of adjustable parameters and the results obtained are compared with the experimental data available in the literature.