Advanced Thermodynamic Models for Water

This project seeks to develop thermodynamic models that will be able to accurately predict the anomalous properties of water and related mixtures. The developed model will later be used for modelling the electrolyte solutions.

This PhD project is part of the ERC Advanced Grant “New Paradigm in Electrolyte Thermodynamics”.

Water is the most common substance in the world and yet there are a lot of mysteries regarding its unusual properties. For instance, water exhibits increased density upon melting, decreased viscosity under pressure, density maximum at 4 °C, high surface tension, and many more. Currently, there are some possible interpretations for these anomalies, but there is still not definitive explanation. One extremely noteworthy scenario is that water possesses two liquid states and there is experimental data that support this scenario. This idea greatly contradicts the traditional water structure.

In this project, advanced equations of state (EOS), like CPA and PC-SAFT, will be utilized for the modelling of water. Modelling of water with equations of state is vital both for research and industrial applications, but it is also extremely challenging due to water’s unique nature. Likely the pre-existing EOS will need to be modified to accurately predict the anomalous properties of water. For example, the models can be modified by exploring the two liquid state scenario. Achieving an accurate model for water increases the chances of developing a complete electrolyte equation of state later on.

Contact

Evangelos Tsochantaris
PhD student
DTU Chemical Engineering

Contact

Georgios Kontogeorgis
Professor
DTU Chemical Engineering
+45 45 25 28 59

Contact

Xiaodong Liang
Associate Professor
DTU Chemical Engineering
+45 45 25 28 77