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Updated: Aug 15, 2025

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Multiple insights call for revision of modern thermodynamic models to account for structural fluctuations in water
Evangelos Tsochantaris1, Aswin V Muthachikavil1, Baoliang Peng2
1Department of Chemical and Biochemical Engineering, Center for Energy Resources Engineering Technical University of Denmark Lyngby Denmark.
Abstract:
Modern thermodynamic models incorporate the concept of association (hydrogen bonding) and they can describe very satisfactorily many properties of water containing mixtures. They have not been successful in representing water's anomalous properties and this work provides a possible explanation. We have analyzed and interpreted recent experimental data, molecular simulation results, and two-state theory approaches and compared against the predictions from thermodynamic models. We show that the dominance of the tetrahedral structure implemented in modern thermodynamic models may be the reason for their failure for describing water systems. While this study does not prove the two-state theories for water, it indicates that a high level of tetrahedral structure of water is not in agreement with water's anomalous properties when used in thermodynamic models.
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