A strategy to compute critical surfaces in highly asymmetrical ternary systems

Abstract

This work shows that predicting, using a model, the topology and even the existence range of the critical behavior in an asymmetrical ternary system, is practically impossible without a systematic strategy to build through computations the ternary critical surface (T-CS). For this purpose, it is necessary to have robust calculation procedures to compute such surfaces. In this work, a calculation strategy to compute ternary critical lines (T-CLs) is developed. The computed critical surfaces for two different ternary systems are studied. In particular, the topology of these surfaces is analysed. First, a system with a relatively simple behavior is studied. Then, the strategies developed are tested for a system with complex behavior. In addition, the boundaries of a ternary critical surface (T-CS) are established, and it is described how to start the calculation of a T-CL (or a set of T-CLs) from a point on any of the established boundaries.