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使用分子動力學模擬探討水於白金基材上的潤濕行為
Thesis

使用分子動力學模擬探討水於白金基材上的潤濕行為

溫在宇
Masters, 國立清華大學, 化學工程學系
2008

Abstract

分子動力學模擬 純水 白金 潤濕行為
The purpose of this thesis is to simulate the behavior of a nano water droplet on a platinum substrate based on molecular dynamics. By finding appropriate potential energies for water-water, water-platinum and platinum-platinum, we may build up a simulation system to investigate the wetting behavior between water and platinum. And therefore the simulation results may be offered as reference to nano-spreading industries. The study is divided into two parts: choosing the temperature and the droplet size as operating conditions to investigate the wetting behavior respectively. The wetting area and the contact angle between the droplet and the platinum surface are investigated to discuss the wetting behaviors.

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