Modeling fluid polyamorphism through a maximum-valence approach.

Shumovskyi, Nikolay A; Longo, Thomas J; Buldyrev, Sergey V; Anisimov, Mikhail A

Shumovskyi, Nikolay A; Longo, Thomas J; Buldyrev, Sergey V; Anisimov, Mikhail A.

Afiliación

Shumovskyi NA; Department of Physics, Boston University, Boston, Massachusetts 02215, USA.
Longo TJ; Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA.
Buldyrev SV; Department of Physics, Yeshiva University, New York, New York 10033, USA and Department of Physics, Boston University, Massachusetts 02215, USA.
Anisimov MA; Department of Chemical and Biomolecular Engineering and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA.

Phys Rev E ; 106(1-2): 015305, 2022 Jul.

Article en En | MEDLINE | ID: mdl-35974620

RESUMEN

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) atoms with maximal valence attract or repel each other stronger than other 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.

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Rev E Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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