Computer Calculations of Metastable and Stable Fe-C-Si Phase Diagrams from Binary Thermodynamic Properties

摘要

The metastable and stable phase diagrams of the Fe-C-Si system were to be predicted at temperatures of interest by computer calculations. The calculations were to be based on the thermodynamic properties of the constituent binary systems. These properties include (1) lattice stability parameters which reflect Gibbs free energy differences for a single component phase change, (2) excess Gibbs free energy parameters which characterize the departure from the ideal solution behavior of a given binary system, and (3) Gibbs free energies of formation of known binary compounds. The thermodynamic properties were collected from selected literature. They were then used to calculate the constituent binary phase diagrams and the results were compared with the experimentally determined phase diagrams for evaluating the reliability of the binary data before the ternary phase diagrams were calculated. (ERA citation 12:043538)