Electrolyte systems play pivotal roles in diverse applications like desalination, carbon capture and storage, sour water stripping, energy storage, and many more. This project aims to evaluate and further develop general-purpose oriented molecular equations of state for a variety of electrolyte systems.
Among the recent advancements in electrolyte thermodynamics, the study of ion-ion association and solid formation properties through quantum chemical calculations has proven to be especially noteworthy. These findings have opened new avenues for enhancing our understanding of electrolyte behavior in various systems.
The project aims to explore several critical aspects of electrolyte systems, including (1) investigating the role of ion-ion association in shaping the equations of state for strong electrolytes, which could lead to more accurate models for predicting electrolyte behavior; (2) evaluating and improving current modeling approaches for weak electrolytes, where standard models often fall short; (3) applying the newly developed electrolyte equations of state to specific processes such as desalination, carbon capture, and energy storage to validate their practical effectiveness.
These objectives will not only deepen our theoretical understanding of electrolyte systems but also offer practical tools for industries involved in energy, environmental protection, and chemical processing.
Main supervisor:
Associate Professor Xiaodong Liang
Co- supervisors:
Dr. Nefeli Effrosyni Novak
Professor Georgios M. Kontogeorgis.