奈米數量級下之水分子動力學模擬

計畫名稱:奈米數量級下之水分子動力學模擬

所屬單位:機械系, 土木系

研究團隊:一維分子奈米線類螺旋形式結構分子設計團隊

計畫主持人:施文彬, 陳俊杉

研究人員:林宗翰

使用期間:2005/10~2007/07

研究主題:
奈米數量級下之水分子動力學模擬

研究內容概述:
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. By tuning the attractive effects between the platform and the droplet, the contact angles are found at steady states. 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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