TY - JOUR

T1 - Pair fraction distribution of the one-sublattice modified quasichemical model – Application to the Cu-Fe-S liquid solution

AU - Waldner, Peter

PY - 2023

Y1 - 2023

N2 - Within the formalism of the one-sublattice modified quasichemical model an equation for the computation of pair fraction distributions is derived considering distinct model modifications reported in the literature. For generalization an equation system is presented to determine pair fraction distributions of multicomponent solutions. Consistency of the derived equation with the analogous relationship of former versions of the modified quasichemical model is demonstrated. The derived equation is applied to the Cu-Fe-S liquid solution and its binary subsystems. Pair fraction distributions calculated exemplarily at 1200 °C (1473 K) are used to interpret recently reported predictions of the high-temperature Cu-Fe-S system.

AB - Within the formalism of the one-sublattice modified quasichemical model an equation for the computation of pair fraction distributions is derived considering distinct model modifications reported in the literature. For generalization an equation system is presented to determine pair fraction distributions of multicomponent solutions. Consistency of the derived equation with the analogous relationship of former versions of the modified quasichemical model is demonstrated. The derived equation is applied to the Cu-Fe-S liquid solution and its binary subsystems. Pair fraction distributions calculated exemplarily at 1200 °C (1473 K) are used to interpret recently reported predictions of the high-temperature Cu-Fe-S system.

U2 - 10.1007/s11669-023-01034-2

DO - 10.1007/s11669-023-01034-2

M3 - Article

VL - 44.2023

SP - 209

EP - 219

JO - Journal of phase equilibria and diffusion

JF - Journal of phase equilibria and diffusion

SN - 1547-7037

IS - April

ER -