ArticleAIChE journal. American Institute of Chemical Engineers2022
Multiple insights call for revision of modern thermodynamic models to account for structural fluctuations in water.
Article in AIChE journal. American Institute of Chemical Engineers, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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- Multiple insights call for revision of modern thermodynamic models to account for structural fluctuations in water.AIChE journal. American Institute of Chemical Engineers · 2022Article
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5 authors.
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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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