Simulation and Analysis of Interfacial Wettability by Dissipative Particle Dynamics

Tzung-Han Lin, W. Shih, Chuin-Shan Chen, Y. Chiu
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引用次数: 1

Abstract

In this paper, we present a three-dimensional dissipative particle dynamics simulation, which is independent of the initial conditions, for analyzing the wettability on liquid-solid interfaces. The model parameters are constructed based on simulation optimization. The contact angle of a droplet on the solid platforms which possess different surface energy is simulated. The normalized factors indicate the parameters of the surface energy. By tuning the attractive and repulsive effects between the platform and the droplet, the contact angles with wide range are found at steady states. In simulation result, the linear relation between contact angle and the normalized factor is obtained. The proper repulsive factor in the paper is recommended to be 15 or 20. The ranges of the contact angles are from about 65 to 155 degrees. Moreover, the local density and the equation of state are applied for determining the droplet's self energy and compressibility. The simulation results will help us to predict the profile and internal physical behavior of a micro-droplet
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耗散粒子动力学的界面润湿性模拟与分析
本文提出了一种不依赖于初始条件的三维耗散粒子动力学模拟方法,用于分析液固界面的润湿性。在仿真优化的基础上,构建了模型参数。模拟了液滴在具有不同表面能的固体平台上的接触角。归一化因子表示表面能的参数。通过调节平台与液滴之间的吸引和排斥效应,在稳态条件下获得了大范围的接触角。仿真结果表明,接触角与归一化系数之间存在线性关系。论文中适当的排斥因子建议为15或20。接触角的范围在65到155度之间。此外,利用液滴的局部密度和状态方程来确定液滴的自能和可压缩性。模拟结果将有助于我们预测微液滴的轮廓和内部物理行为
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