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三相接触线的平均场密度泛函理论

Mean-field density functional theory of a three-phase contact line.

作者信息

Lin Chang-You, Widom Michael, Sekerka Robert F

机构信息

Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jan;85(1 Pt 1):011120. doi: 10.1103/PhysRevE.85.011120. Epub 2012 Jan 12.

DOI:10.1103/PhysRevE.85.011120
PMID:22400525
Abstract

A three-phase contact line in a three-phase fluid system is modeled by a mean-field density functional theory. We use a variational approach to find the Euler-Lagrange equations. Analytic solutions are obtained in the two-phase regions at large distances from the contact line. We employ a triangular grid and use a successive overrelaxation method to find numerical solutions in the entire domain for the special case of equal interfacial tensions for the two-phase interfaces. We use the Kerins-Boiteux formula to obtain a line tension associated with the contact line. This line tension turns out to be negative. We associate line adsorption with the change of line tension as the governing potentials change.

摘要

三相流体系统中的三相接触线采用平均场密度泛函理论进行建模。我们使用变分方法来推导欧拉 - 拉格朗日方程。在远离接触线的两相区域中得到了解析解。对于两相界面具有相等界面张力的特殊情况,我们采用三角网格并使用逐次超松弛方法在整个域中找到数值解。我们使用凯林斯 - 布瓦特公式来获得与接触线相关的线张力。结果表明该线张力为负。我们将线吸附与随着控制势变化的线张力变化联系起来。

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