Generic bond energy formalism within the modified quasichemical model for ternary solutions

The Modified Quasichemical Model in the Pair Approximation (MQMPA) can effectively capture thermodynamic features of a binary solution with Short-Range Ordering (SRO). If model is used to treat ternary solution, geometric interpolation method must be employed extend bond energy expression from formalism. aim present work implement such extension by means generic approach. unbiased and transformed into widely Kohler, Toop Muggianu approaches special parameters. parameters calculated integration as well optimized experimental data. formalism (GBEF) has thus been derived provide MQMPA great flexibility describe solutions complex configurations. Moreover, GBEF more concise than formula combinatorial Kohler-Toop method. respect conveniently programmed. Eventually, Cu-Li-Sn liquid where both SRO clustering among atoms occur validate effectiveness reliability within MQMPA.