Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation

被引：94

作者：

Ghoufi, A. ^{[1
]}

Malfreyt, P. ^{[2
]}

机构：

[1] Univ Rennes 1, Inst Phys Rennes, UMR CNRS 6251, F-35042 Rennes, France

[2] Univ Clermont Ferrand, Clermont Univ, Lab Thermodynam & Interact Mol, LTIM,UMR CNRS 6272, F-63000 Clermont Ferrand, France

来源：

PHYSICAL REVIEW E | 2011年 / 83卷 / 05期

关键词：

DISSIPATIVE PARTICLE DYNAMICS; MONTE-CARLO SIMULATIONS; MESOSCOPIC SIMULATION; POTENTIAL FUNCTIONS; SYSTEMS; DENSITY; RUPTURE; FLUIDS;

D O I：

10.1103/PhysRevE.83.051601

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

We report a mesoscale modeling of the liquid-vapor interface of water. A mesoscopic model of water has been established in dissipative particle dynamics (DPD) to reproduce the interfacial properties of water. The surface tension and coexisting densities are compared between atomistic and mesoscopic simulations. Simple scaling relations have been established to link the atomistic and mesoscopic length and time scales. Our study demonstrates the capability of the DPD method to explore the interfacial properties of a planar water liquid-vapor interface and a water nanodroplet. This constitutes an important step toward the calculation of the surface tension of larger and more complex interfacial systems.

引用

页数：5

共 50 条

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