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作者崔树稳,魏久安,刘伟伟,朱如曾,钱萍（2019）在《Approximate expression of Young’s equation and molecular dynamics simulation for its applicability》一文中研究指出：In 1805, Thomas Young was the first to propose an equation(Young’s equation) to predict the value of the equilibrium contact angle of a liquid on a solid. On the basis of our predecessors, we further clarify that the contact angle in Young’s equation refers to the super-nano contact angle. Whether the equation is applicable to nanoscale systems remains an open question. Zhu et al. [College Phys. 4 7(1985)] obtained the most simple and convenient approximate formula, known as the Zhu–Qian approximate formula of Young’s equation. Here, using molecular dynamics simulation, we test its applicability for nanodrops. Molecular dynamics simulations are performed on argon liquid cylinders placed on a solid surface under a temperature of 90 K, using Lennard–Jones potentials for the interaction between liquid molecules and between a liquid molecule and a solid molecule with the variable coefficient of strength a. Eight values of a between 0.650 and 0.825 are used. By comparison of the super-nano contact angles obtained from molecular dynamics simulation and the Zhu–Qian approximate formula of Young’s equation, we find that it is qualitatively applicable for nanoscale systems.
Abstract
In 1805, Thomas Young was the first to propose an equation(Young’s equation) to predict the value of the equilibrium contact angle of a liquid on a solid. On the basis of our predecessors, we further clarify that the contact angle in Young’s equation refers to the super-nano contact angle. Whether the equation is applicable to nanoscale systems remains an open question. Zhu et al. [College Phys. 4 7(1985)] obtained the most simple and convenient approximate formula, known as the Zhu–Qian approximate formula of Young’s equation. Here, using molecular dynamics simulation, we test its applicability for nanodrops. Molecular dynamics simulations are performed on argon liquid cylinders placed on a solid surface under a temperature of 90 K, using Lennard–Jones potentials for the interaction between liquid molecules and between a liquid molecule and a solid molecule with the variable coefficient of strength a. Eight values of a between 0.650 and 0.825 are used. By comparison of the super-nano contact angles obtained from molecular dynamics simulation and the Zhu–Qian approximate formula of Young’s equation, we find that it is qualitatively applicable for nanoscale systems.
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论文作者分别是来自Chinese Physics B的崔树稳,魏久安,刘伟伟,朱如曾,钱萍，发表于刊物Chinese Physics B2019年01期论文，是一篇关于,Chinese Physics B2019年01期论文的文章。本文可供学术参考使用，各位学者可以免费参考阅读下载，文章观点不代表本站观点，资料来自Chinese Physics B2019年01期论文网站，若本站收录的文献无意侵犯了您的著作版权，请联系我们删除。