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电场改变了奔驰水模型的异常性质。

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

机构信息

Faculty of Chemistry and Chemical Technology, University of Ljubljana, Askerceva 5, SI-1000, Slovenia.

出版信息

Phys Chem Chem Phys. 2023 Feb 8;25(6):4987-4996. doi: 10.1039/d2cp05670d.

Abstract

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.

摘要

研究了均匀恒电场对水性质的影响。我们使用了一种简单的二维统计力学模型,称为奔驰(MB)水模型。MB 水分子是具有高斯臂的二维圆盘,模拟氢键的形成。该模型经过修改,增加了与电场相互作用的电荷。通过蒙特卡罗模拟研究了电场强度对水性质的影响。随着电场强度的变化,确定了水的结构和热力学性质。我们观察到,在低强度电场下,水的性质和相变没有变化。相比之下,高强度电场会改变沸点和熔点以及密度最大值的位置。进一步增加电场强度后,密度异常消失。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edcf/9906975/4aa2717398c1/d2cp05670d-f1.jpg

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