Modeling Activity and Interaction Coefficients of Components of Multicomponent Alloy Melts: An Example of Iron Melt

Abstract

As a popular thermodynamic calculation method for binary alloys, Miedema's model has been applied in many fields. Chou's Model, a new generation of geometric model for ternary and multicomponent alloy systems, overcomes the intrinsic theoretical defects (including symmetric and asymmetric) existing in some original geometric models. Here, by means of combining Miedema's model and Chou's model as well as including the consideration of the excess entropy we attempted to build the new thermodynamic model to evaluate thermodynamic properties of ternary and multicomponent alloying systems in terms of the physical parameters (molar volume, electronegativity, electronic density and melting point) of constituents. Moreover, the activity and interaction coefficients of a wide of components in iron melt have been discussed in details.

Keywords

• miedema's model
• chou's model
• ternary alloy
• free volume theory
• excess entropy