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The electric field changes the anomalous properties of the Mercedes Benz water model

The influence of a homogeneous constant electric field on water properties was assessed. We used a simple two-dimensional statistical mechanical model called the Mercedes-Benz (MB) model of water in the study. The MB water molecules are two-dimensional disks with Gaussian arms that mimic the formati...

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Detalles Bibliográficos
Autor principal: Urbic, Tomaz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9906975/
https://www.ncbi.nlm.nih.gov/pubmed/36722865
http://dx.doi.org/10.1039/d2cp05670d
Descripción
Sumario:The influence of a homogeneous constant electric field on water properties was assessed. We used a simple two-dimensional statistical mechanical model called the Mercedes-Benz (MB) model of water in the study. The MB water molecules are two-dimensional disks with Gaussian arms that mimic the formation of hydrogen bonds. The model is modified with added charges for interaction with the electric field. The influence of the strength of the electric field on the water's properties was studied using Monte Carlo simulations. The structure and thermodynamics of the water were determined as a function of the strength of the electric field. We observed that the properties and phase transitions of the water in the low strength electric field does not change. In contrast, the high strength electric field shifts boiling and melting points as well as the position of the density maxima. After further increasing the strength of the electric field the density anomaly disappears.