Thermodynamic Models for Predicting and Correlating Solid-Liquid Phase Equilibrium

Abstract

Thermodynamic models are indispensable tools for predicting and analyzing the behavior of substances under varying temperature conditions. They provide crucial guidance for new process development, process optimization and process design, etc. By using suitable thermodynamic models to describe and predict the solid-liquid phase equilibria of compounds, researchers can significantly reduce experimental efforts and improve the efficiency of product design. Although a variety of models are currently available for solubility prediction, their applicability is often constrained by certain limitations, and a fully comprehensive model has yet to be developed. This review aims to discuss several widely used thermodynamic models in chemical engineering, detailing their applicability and predictive performance across a broad spectrum of systems, including organic compounds, inorganic salts and complex multicomponent mixtures, and their key limitations and challenges associated. Additionally, specific solubility scenarios are highlighted along with the models that have successfully predicted solubility in these contexts. In the future, thermodynamic models should be designed to be modular, comprehensible, and easily updatable. Such improvements are essential to ensure their effective application across various industrial settings, whether dealing with pure compounds or complex multicomponent mixtures.