MATHEMATICAL FORM OF THE SILICON CRYSTALLIZATION LINE IN THE IRON–SILICON SYSTEM BASED ON THE BJERRUM–GUGGENHEIM CONCEPT
Annotation
The insufficient substantiation of phase equilibrium analysis results in the underutilization of the extensive thermodynamic information contained in phase diagrams. Using the iron–silicon system as an example, the applicability of the developed methodology for calculating phase equilibrium lines to evaluate the melt structure through the degree of dissociation or association of congruently melting chemical compounds is demonstrated. It is shown that when dissociation of a congruently melting compound occurs in the melt, the newly obtained values of the Bjerrum–Guggenheim osmotic coefficient, accounting for the degree of dissociation or association of this compound in the melt, exhibit a linear dependence. A characteristic feature of the crystallization line of the FeSi compound is the formation of associates, as evidenced by the initially concave shape of the Φᵢ curves.
The aim of this study is to identify the regular features of silicon behavior along the crystallization line from the standpoint of the Bjerrum–Guggenheim osmotic coefficient and to derive a universal mathematical expression for predicting the phase composition of alloys at various silicon concentrations through the degree of dissociation (association) of the congruently melting FeSi compound.
For the first time, a mathematical expression for the silicon crystallization line in the iron–silicon system is proposed in the form of a semi-empirical Schröder–Le Chatelier equation relating the liquidus temperature to the silicon concentration. Based on the iron–silicon system, a justified selection of the functional form for the analytical description of the silicon crystallization surface is carried out using the Bjerrum–Guggenheim coefficient. Experimental data from the Fe–Si phase diagram are approximated, and the accuracy and applicability range of the obtained model are evaluated. Characteristic features of the silicon crystallization line behavior associated with changes in crystallization mechanisms and component interactions are identified. The obtained results can be used for numerical modeling of crystallization processes and for predicting the properties of iron–silicon alloys.
Key words: phase diagram; degree of association (dissociation); phase equilibrium lines; Gibbs energy; Bjerrum–Guggenheim coefficient; phase crystallization fields.
Author
V.V. Tolokonnikova
S.O. Baisanov
G.I. Narikbaeva
I.Y., Korsukova
V.A. Salina
DOI
10.48081/BGQF1926
Keywords
phase diagram
degree of association (dissociation)
), lines of phase equilibria
Gibbs energy
Bjerrum-Guggenheim coefficient
phase crystallization fields
Year
2026
Номер
Issue 1
258
3
For citation:
V.V. Tolokonnikova, S.O. Baisanov, G.I. Narikbaeva, I.Y., Korsukova, V.A. Salina MATHEMATICAL FORM OF THE SILICON CRYSTALLIZATION LINE IN THE IRON–SILICON SYSTEM BASED ON THE BJERRUM–GUGGENHEIM CONCEPT // Scientific journal "Science and Technology of Kazakhstan". - 2026 - №1 - 287-300 10.48081/BGQF1926
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