Modeling Fluid Polyamorphism Through a Maximum-Valence Approach

We suggest a simple model to describe polyamorphism in single-component fluids using a maximum-valence approach. The model contains three types of interactions: i) atoms attract each other by van der Waals forces that generate a liquid-gas transition at low pressures, ii) atoms may form covalent bon...

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Veröffentlicht in:arXiv.org 2022-06
Hauptverfasser: Shumovskyi, Nikolay A, Longo, Thomas J, Buldyrev, Sergey V, Anisimov, Mikhail A
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Sprache:eng
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Zusammenfassung:We suggest a simple model to describe polyamorphism in single-component fluids using a maximum-valence approach. The model contains three types of interactions: i) atoms attract each other by van der Waals forces that generate a liquid-gas transition at low pressures, ii) atoms may form covalent bonds that induce association, and iii) bonded atoms attract or repel each other stronger than non-bonded atoms, thus generating liquid-liquid separation. As an example, we qualitatively compare this model with the behavior of liquid sulfur and show that condition (iii) generates a liquid-liquid phase transition in addition to the liquid-gas phase transition.
ISSN:2331-8422
DOI:10.48550/arxiv.2111.08109